- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=1.0 volume=0.005 rsupport=0.5 tsupport=0.75
         quality=0.2 violation=0.9
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYSS  50 - HN    CYSS  50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYSS  53 - HN    CYSS  53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.37, residual support = 44.9:
      O   HA    MET   11 - HN    MET   11   2.79 +/- 0.21  96.862% * 99.3074% (0.95  10.0   3.37  44.93) =  99.998%  kept
          HA    ALA   12 - HN    MET   11   5.16 +/- 0.47   3.115% *  0.0762% (0.73   1.0   0.02  12.13) =   0.002%
          HA    GLU-  14 - HN    MET   11  11.73 +/- 0.60   0.020% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  20.07 +/- 3.00   0.002% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.45 +/- 2.26   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.09 +/- 2.81   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  36.47 +/- 2.84   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  33.50 +/- 3.61   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  36.46 +/- 3.38   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  38.49 +/- 3.07   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.75 +/- 2.90   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  41.16 +/- 2.56   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.551, support = 2.85, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.76 +/- 0.23  38.724% * 68.6590% (0.71  10.0   2.38  12.37) =  58.304%  kept
      O   HA    MET   11 - HN    ALA   12   2.54 +/- 0.13  61.222% * 31.0568% (0.32  10.0   3.50  12.13) =  41.696%  kept
          HA    GLU-  14 - HN    ALA   12   8.37 +/- 0.50   0.054% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  26.11 +/- 1.91   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  29.51 +/- 2.33   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  33.86 +/- 2.80   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  27.94 +/- 2.33   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  33.59 +/- 2.27   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  35.72 +/- 2.50   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 1.71, residual support = 5.18:
      O   HA    ALA   12 - HN    SER   13   2.65 +/- 0.37  96.493% * 97.9849% (0.14  10.0   1.71   5.18) =  99.994%  kept
          HA    GLU-  14 - HN    SER   13   4.83 +/- 0.38   3.507% *  0.1672% (0.20   1.0   0.02   6.67) =   0.006%
          HA    PHE   59 - HN    SER   13  25.66 +/- 1.42   0.000% *  0.4446% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  27.89 +/- 2.01   0.000% *  0.4446% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  30.63 +/- 1.60   0.000% *  0.8283% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  32.03 +/- 1.78   0.000% *  0.1304% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.42:
      O   QB    SER   13 - HN    SER   13   3.04 +/- 0.19  99.917% * 99.5044% (0.87  10.0   2.06   7.42) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  12.29 +/- 2.12   0.055% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  13.92 +/- 2.30   0.028% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  28.92 +/- 1.98   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.66 +/- 1.38   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  31.63 +/- 2.53   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.1:
      O   HA    GLN   17 - HN    VAL   18   2.55 +/- 0.08  99.738% * 99.5491% (0.81  10.0   5.47  50.11) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.03 +/- 0.12   0.233% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  12.47 +/- 0.65   0.008% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  14.18 +/- 0.94   0.004% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  12.65 +/- 1.60   0.010% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  13.62 +/- 0.47   0.005% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.04 +/- 1.43   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  19.20 +/- 2.25   0.001% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  22.70 +/- 1.46   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 5.49, residual support = 77.2:
      O   HA    VAL   18 - HN    VAL   18   2.88 +/- 0.02  99.328% * 98.8751% (0.36  10.0   5.49  77.20) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.72 +/- 0.10   0.628% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  11.37 +/- 0.89   0.031% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  15.57 +/- 1.45   0.005% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  15.96 +/- 1.27   0.004% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  18.78 +/- 1.44   0.001% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  17.00 +/- 0.95   0.003% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  24.57 +/- 1.05   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.1, residual support = 6.67:
      O   HA    SER   13 - HN    GLU-  14   2.40 +/- 0.13  98.956% * 99.4257% (0.67  10.0   2.10   6.67) =  99.999%  kept
          HA    GLU-  15 - HN    GLU-  14   5.24 +/- 0.39   1.013% *  0.0994% (0.67   1.0   0.02   1.37) =   0.001%
          HA    GLN   17 - HN    GLU-  14  10.43 +/- 0.39   0.016% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  12.00 +/- 2.34   0.012% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  16.29 +/- 1.78   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  22.93 +/- 1.69   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  17.47 +/- 1.45   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  24.15 +/- 1.14   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  23.47 +/- 3.52   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  27.02 +/- 1.62   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.44, residual support = 16.5:
          HN    GLN   17 - HN    GLY   16   2.39 +/- 0.10  99.984% * 86.2174% (0.13   3.44  16.48) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  13.97 +/- 1.26   0.003% *  3.6717% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  11.69 +/- 1.83   0.012% *  0.5716% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.99 +/- 1.14   0.001% *  2.5446% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  22.03 +/- 1.13   0.000% *  3.4197% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  26.04 +/- 0.86   0.000% *  3.5751% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 16.5:
        T HN    GLY   16 - HN    GLN   17   2.39 +/- 0.10 100.000% * 99.8536% (1.00 10.00   3.44  16.48) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  22.66 +/- 1.19   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  25.19 +/- 0.83   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.479, support = 2.07, residual support = 6.13:
      O   HA    GLU-  15 - HN    GLY   16   2.67 +/- 0.11  97.147% * 76.7387% (0.47  10.0   2.06   6.05) =  99.173%  kept
          HA    GLN   17 - HN    GLY   16   4.87 +/- 0.08   2.746% * 22.6242% (0.97   1.0   2.90  16.48) =   0.826%  kept
          HA    SER   13 - HN    GLY   16   9.04 +/- 0.51   0.072% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  13.02 +/- 2.14   0.013% *  0.1563% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  12.73 +/- 0.93   0.009% *  0.1083% (0.67   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.88 +/- 1.38   0.010% *  0.0487% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  16.56 +/- 1.42   0.002% *  0.0707% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.44 +/- 1.00   0.001% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  24.04 +/- 2.27   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.82, support = 0.0198, residual support = 0.0198:
          HA    VAL   18 - HN    GLY   16   6.50 +/- 0.16  70.454% * 12.6997% (0.90   0.02   0.02) =  82.111%  kept
          HA    VAL   70 - HN    GLY   16   7.96 +/- 1.15  26.611% *  6.1679% (0.44   0.02   0.02) =  15.062%  kept
          HA    LYS+  33 - HN    GLY   16  12.85 +/- 2.09   2.071% * 10.5138% (0.75   0.02   0.02) =   1.998%  kept
          HA    GLU-  29 - HN    GLY   16  16.46 +/- 1.81   0.345% * 12.3380% (0.87   0.02   0.02) =   0.391%
          HA    GLN   32 - HN    GLY   16  16.26 +/- 1.81   0.360% *  9.4500% (0.67   0.02   0.02) =   0.312%
          HA    SER   48 - HN    GLY   16  23.32 +/- 1.48   0.037% * 12.6997% (0.90   0.02   0.02) =   0.043%
          HA    GLN  116 - HN    GLY   16  20.64 +/- 1.45   0.075% *  6.1679% (0.44   0.02   0.02) =   0.042%
          HD2   PRO   52 - HN    GLY   16  24.83 +/- 1.29   0.024% *  6.6964% (0.47   0.02   0.02) =   0.015%
          HB2   SER   82 - HN    GLY   16  27.94 +/- 1.31   0.011% * 13.2768% (0.94   0.02   0.02) =   0.014%
          HA    ALA   88 - HN    GLY   16  27.58 +/- 0.90   0.012% *  9.9899% (0.71   0.02   0.02) =   0.011%
    Distance limit 3.42 A violated in 20 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.977, support = 5.07, residual support = 81.9:
      O   HA    GLN   17 - HN    GLN   17   2.88 +/- 0.01  59.083% * 95.5860% (0.99  10.0   5.17  84.24) =  97.171%  kept
          HA    GLU-  15 - HN    GLN   17   3.07 +/- 0.07  40.857% *  4.0242% (0.49   1.0   1.71   0.02) =   2.829%  kept
          HA    SER   13 - HN    GLN   17   9.94 +/- 0.40   0.036% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.70 +/- 0.80   0.009% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  14.64 +/- 1.82   0.005% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.94 +/- 1.22   0.006% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  15.44 +/- 1.36   0.003% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  17.81 +/- 0.91   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  22.68 +/- 2.20   0.000% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.2:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.24) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  20.29 +/- 2.50   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  23.86 +/- 1.84   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  23.48 +/- 1.49   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  30.03 +/- 2.87   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  24.16 +/- 1.49   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  31.74 +/- 3.23   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.12 +/- 1.91   0.000% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.2:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.24) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  20.12 +/- 2.00   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  20.29 +/- 2.50   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  24.94 +/- 2.27   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  31.55 +/- 2.25   0.000% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.245, support = 3.29, residual support = 18.3:
      O   HA1   GLY   16 - HN    GLN   17   3.24 +/- 0.05  90.631% * 63.1618% (0.22  10.0   3.26  16.48) =  94.684%  kept
          HA    VAL   18 - HN    GLN   17   4.76 +/- 0.13   9.059% * 35.4672% (0.65   1.0   3.87  50.11) =   5.315%  kept
          HA    VAL   70 - HN    GLN   17   9.15 +/- 1.05   0.226% *  0.2831% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   17  12.25 +/- 1.73   0.051% *  0.1493% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  13.58 +/- 1.70   0.024% *  0.2370% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  16.26 +/- 1.42   0.007% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  20.36 +/- 1.31   0.002% *  0.2831% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  21.31 +/- 1.49   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  26.75 +/- 1.16   0.000% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HN    ILE   19   3.31 +/- 0.43 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.88, residual support = 23.4:
      O   HA    VAL   18 - HN    ILE   19   2.25 +/- 0.03  99.943% * 99.2246% (0.65  10.0   4.88  23.45) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.79 +/- 0.74   0.016% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.76 +/- 0.45   0.030% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  12.60 +/- 0.96   0.004% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  12.82 +/- 0.79   0.003% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  13.35 +/- 1.18   0.003% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  19.33 +/- 1.35   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  16.51 +/- 1.52   0.001% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  20.84 +/- 1.11   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 172.4:
      O   HA    ILE   19 - HN    ILE   19   2.90 +/- 0.02  99.957% * 99.7071% (0.87  10.0   6.60 172.42) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.11 +/- 0.43   0.033% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.75 +/- 0.40   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    ILE   19  16.17 +/- 1.02   0.004% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.81 +/- 1.26   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.91 +/- 0.73   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.04, residual support = 25.5:
      O   HA    ILE   19 - HN    ALA   20   2.24 +/- 0.05  99.975% * 99.7374% (0.97  10.0   5.04  25.47) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.18 +/- 0.30   0.022% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.20 +/- 0.30   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    ALA   20  17.71 +/- 1.14   0.000% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  20.32 +/- 0.73   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.33 +/- 1.36   0.000% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.91 +/- 0.02  99.914% * 99.9455% (0.97  10.0   3.14  15.23) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.70 +/- 0.88   0.086% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.69, residual support = 10.0:
        T HN    LYS+  74 - HN    CYS   21   2.66 +/- 0.48  99.723% * 99.2410% (0.76 10.00   3.69  10.02) = 100.000%  kept
          HN    THR   46 - HN    CYS   21   8.29 +/- 0.59   0.208% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.07 +/- 0.51   0.059% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.41 +/- 0.81   0.001% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  16.73 +/- 0.89   0.003% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  16.60 +/- 1.23   0.003% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.28 +/- 0.72   0.002% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  24.12 +/- 2.71   0.000% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  23.32 +/- 1.52   0.000% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  34.55 +/- 2.75   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 14.7:
      O   HA    ALA   20 - HN    CYS   21   2.21 +/- 0.01  99.991% * 99.8901% (0.95  10.0   2.96  14.70) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.83 +/- 0.70   0.008% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.46 +/- 0.96   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.90 +/- 0.62   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  18.37 +/- 2.48   0.000% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  17.09 +/- 1.77   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.84, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.79 +/- 0.04  99.990% * 99.8043% (0.83  10.0   3.84  41.02) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.23 +/- 0.83   0.010% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  22.32 +/- 1.54   0.000% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.55 +/- 0.66   0.000% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.51:
          HA    PHE   59 - HN    ASP-  62   3.55 +/- 0.20  99.089% * 92.4913% (0.52   1.50   6.51) =  99.988%  kept
          HA    ILE   56 - HN    ASP-  62   8.14 +/- 0.67   0.776% *  1.2332% (0.52   0.02   0.02) =   0.010%
          HA    ASP- 113 - HN    ASP-  62  13.94 +/- 1.51   0.043% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP-  62  12.06 +/- 1.39   0.085% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  18.86 +/- 1.07   0.005% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  23.61 +/- 0.74   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  22.63 +/- 0.81   0.002% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.41, residual support = 21.5:
          HN    THR   23 - HN    HIS   22   2.71 +/- 0.24  99.826% * 97.3331% (0.69   3.41  21.49) =  99.999%  kept
          HE3   TRP   27 - HN    HIS   22   8.29 +/- 0.46   0.146% *  0.8301% (1.00   0.02   0.02) =   0.001%
          QE    PHE   95 - HN    HIS   22  14.28 +/- 1.19   0.006% *  0.6041% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    HIS   22  11.50 +/- 0.56   0.020% *  0.1457% (0.18   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  21.71 +/- 1.34   0.000% *  0.8301% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  19.42 +/- 1.53   0.001% *  0.2568% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 5.2:
          HA    ALA   20 - HN    HIS   22   4.97 +/- 0.05  99.773% * 62.6587% (0.95   0.02   5.21) =  99.945%  kept
          HA    LEU   71 - HN    HIS   22  13.88 +/- 0.59   0.217% * 14.7469% (0.22   0.02   0.02) =   0.051%
          HA    LYS+ 102 - HN    HIS   22  23.26 +/- 0.73   0.010% * 22.5944% (0.34   0.02   0.02) =   0.003%
    Distance limit 3.81 A violated in 20 structures by 1.16 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.85, residual support = 14.2:
        T HN    THR   26 - HN    THR   23   4.15 +/- 0.25  93.034% * 99.8319% (0.69 10.00   3.85  14.20) =  99.996%  kept
          HN    LEU   80 - HN    THR   23   6.72 +/- 0.80   6.889% *  0.0496% (0.34  1.00   0.02   6.67) =   0.004%
          HN    ALA   34 - HN    THR   23  14.10 +/- 0.37   0.065% *  0.0362% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYSS  53 - HN    THR   23  18.75 +/- 0.97   0.012% *  0.0823% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.41, residual support = 21.5:
        T HN    HIS   22 - HN    THR   23   2.71 +/- 0.24  98.339% * 99.9047% (0.99 10.00   3.41  21.49) =  99.998%  kept
          HN    ASP-  76 - HN    THR   23   5.85 +/- 0.73   1.661% *  0.0953% (0.95  1.00   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.89, residual support = 34.6:
        T HN    GLU-  25 - HN    VAL   24   2.67 +/- 0.11  99.199% * 99.8571% (0.98 10.00   7.89  34.59) = 100.000%  kept
          HN    ASN   28 - HN    VAL   24   6.01 +/- 0.17   0.789% *  0.0419% (0.41  1.00   0.02  11.89) =   0.000%
          HN    ASP-  44 - HN    VAL   24  12.19 +/- 0.74   0.012% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.89, residual support = 34.6:
        T HN    VAL   24 - HN    GLU-  25   2.67 +/- 0.11 100.000% *100.0000% (1.00 10.00   7.89  34.59) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.44, residual support = 29.1:
        T HN    THR   26 - HN    GLU-  25   2.92 +/- 0.04  99.998% * 99.9840% (0.97 10.00   5.44  29.10) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.04 +/- 0.70   0.002% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.976, support = 5.42, residual support = 28.9:
        T HN    GLU-  25 - HN    THR   26   2.92 +/- 0.04  89.299% * 94.0000% (0.98 10.00   5.44  29.10) =  99.254%  kept
          HN    ASN   28 - HN    THR   26   4.18 +/- 0.14  10.684% *  5.9050% (0.41  1.00   3.00   0.02) =   0.746%  kept
          HN    ASP-  44 - HN    THR   26  12.37 +/- 0.53   0.016% *  0.0951% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.41, residual support = 22.0:
          HN    TRP   27 - HN    THR   26   2.61 +/- 0.04  99.985% * 98.4392% (0.99   4.41  22.05) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  13.20 +/- 0.68   0.006% *  0.2732% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  14.79 +/- 0.98   0.003% *  0.1691% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.72 +/- 0.44   0.001% *  0.2914% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.12 +/- 0.27   0.003% *  0.1123% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  20.17 +/- 0.77   0.000% *  0.3443% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  22.01 +/- 1.19   0.000% *  0.3094% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.93 +/- 1.50   0.000% *  0.0610% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.959, support = 3.84, residual support = 14.3:
          HN    THR   23 - HN    THR   26   4.15 +/- 0.25  95.585% * 69.9613% (0.97   3.85  14.20) =  98.761%  kept
          HE3   TRP   27 - HN    THR   26   7.51 +/- 0.15   2.916% * 28.6719% (0.49   3.12  22.05) =   1.235%  kept
          HD2   HIS   22 - HN    THR   26   8.43 +/- 0.45   1.405% *  0.1690% (0.45   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    THR   26  17.11 +/- 0.82   0.021% *  0.3566% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  14.50 +/- 0.76   0.058% *  0.0510% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  22.06 +/- 1.34   0.005% *  0.3480% (0.92   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  20.60 +/- 1.55   0.007% *  0.2287% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  25.27 +/- 0.84   0.002% *  0.2134% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.802, support = 3.97, residual support = 37.7:
          HN    THR   23 - HN    TRP   27   3.93 +/- 0.23  80.036% * 28.7854% (0.69   3.16   1.99) =  62.894%  kept
          HE3   TRP   27 - HN    TRP   27   5.00 +/- 0.12  19.279% * 70.5024% (1.00   5.34  98.18) =  37.105%  kept
          HN    LYS+  81 - HN    TRP   27  11.03 +/- 0.63   0.169% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  10.34 +/- 0.81   0.291% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  15.05 +/- 0.76   0.028% *  0.1923% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  13.62 +/- 1.72   0.058% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  15.64 +/- 0.59   0.022% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.14 +/- 0.57   0.097% *  0.0057% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.49 +/- 0.72   0.002% *  0.2643% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  20.10 +/- 1.32   0.005% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  17.77 +/- 0.96   0.010% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  22.97 +/- 1.09   0.002% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.41, residual support = 22.0:
        T HN    THR   26 - HN    TRP   27   2.61 +/- 0.04  99.995% * 99.8587% (0.97 10.00   4.41  22.05) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  14.21 +/- 0.71   0.004% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  20.17 +/- 0.77   0.000% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  21.36 +/- 0.50   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.5:
        T HN    GLN   90 - HN    ALA   91   2.18 +/- 0.37  99.756% * 91.0962% (0.12 10.00   6.75  32.54) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91   6.83 +/- 0.90   0.224% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  16.94 +/- 1.25   0.001% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  11.59 +/- 0.88   0.010% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.93 +/- 0.85   0.000% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.25 +/- 0.56   0.007% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.10 +/- 0.86   0.000% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  17.47 +/- 0.76   0.001% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.9, residual support = 46.8:
        T HN    ASN   28 - HN    TRP   27   2.68 +/- 0.08  91.460% * 99.7328% (0.99 10.00   4.90  46.83) =  99.996%  kept
          HN    GLU-  25 - HN    TRP   27   3.98 +/- 0.10   8.494% *  0.0378% (0.38  1.00   0.02   0.39) =   0.004%
          HN    ASP-  44 - HN    TRP   27   9.96 +/- 0.54   0.036% *  0.0414% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  18.61 +/- 0.71   0.001% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.79 +/- 0.38   0.008% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.03 +/- 0.90   0.001% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  19.19 +/- 0.85   0.001% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  25.55 +/- 0.96   0.000% *  0.0061% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 1.99, residual support = 98.2:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.946% * 99.6415% (0.76  10.0   1.99  98.18) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27  10.56 +/- 1.91   0.053% *  0.1299% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  17.65 +/- 2.22   0.001% *  0.1001% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  22.14 +/- 1.93   0.000% *  0.1284% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.35, residual support = 98.2:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.998% * 99.8393% (0.45  10.0   1.35  98.18) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  17.62 +/- 1.34   0.002% *  0.1607% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 4.77, residual support = 31.2:
          HN    GLU-  29 - HN    ASN   28   2.63 +/- 0.07  89.384% * 66.5413% (0.98   4.87  32.53) =  94.431%  kept
          HN    GLN   30 - HN    ASN   28   3.76 +/- 0.09  10.603% * 33.0796% (0.80   2.97   8.24) =   5.569%  kept
          HN    ASP-  86 - HN    ASN   28  12.07 +/- 0.55   0.010% *  0.2417% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  18.01 +/- 1.81   0.001% *  0.0620% (0.22   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.27 +/- 0.48   0.002% *  0.0377% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  21.60 +/- 3.85   0.000% *  0.0377% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.9, residual support = 46.8:
          HN    TRP   27 - HN    ASN   28   2.68 +/- 0.08  99.939% * 98.5921% (0.99   4.90  46.83) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  10.86 +/- 0.70   0.024% *  0.2465% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  11.33 +/- 0.92   0.020% *  0.1525% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.41 +/- 0.24   0.010% *  0.1013% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.85 +/- 0.36   0.004% *  0.2629% (0.65   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  18.61 +/- 0.71   0.001% *  0.3106% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  21.35 +/- 0.91   0.000% *  0.2791% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  16.96 +/- 1.54   0.002% *  0.0550% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.07, residual support = 46.8:
          HD1   TRP   27 - HN    ASN   28   3.67 +/- 0.33  97.963% * 98.0254% (0.41   5.07  46.83) =  99.985%  kept
          HE21  GLN   30 - HN    ASN   28   7.99 +/- 1.38   2.030% *  0.7191% (0.76   0.02   8.24) =   0.015%
          QD    PHE   59 - HN    ASN   28  19.52 +/- 1.86   0.005% *  0.3869% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  24.93 +/- 1.42   0.001% *  0.8686% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.47, residual support = 94.2:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.47  94.16) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  16.04 +/- 0.85   0.000% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.27, residual support = 2.88:
          HA    GLU-  25 - HD21  ASN   28   4.44 +/- 0.17  99.434% * 96.5836% (1.00   1.27   2.88) =  99.994%  kept
          HA    SER   82 - HD21  ASN   28  11.34 +/- 1.34   0.448% *  0.8642% (0.57   0.02   0.02) =   0.004%
          HA    ILE   19 - HD21  ASN   28  13.89 +/- 0.35   0.110% *  1.4439% (0.95   0.02   0.02) =   0.002%
          HA    CYSS  53 - HD21  ASN   28  21.39 +/- 0.90   0.009% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.20 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.832, support = 5.66, residual support = 92.7:
      O   HA    ASN   28 - HN    ASN   28   2.80 +/- 0.02  91.136% * 85.9841% (0.84  10.0   5.68  94.16) =  98.491%  kept
          HA    THR   26 - HN    ASN   28   4.17 +/- 0.23   8.845% * 13.5725% (0.65   1.0   4.08   0.02) =   1.509%  kept
          HA    ALA   34 - HN    ASN   28  12.31 +/- 0.21   0.013% *  0.0993% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  15.23 +/- 2.56   0.006% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.52 +/- 1.23   0.000% *  0.0893% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.50 +/- 0.95   0.000% *  0.0974% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  24.57 +/- 1.70   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  29.54 +/- 1.88   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.905, support = 4.62, residual support = 92.3:
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.03  57.923% * 90.4766% (0.97  10.0   4.78  98.18) =  93.074%  kept
      O   HA    ALA   91 - HN    ALA   91   2.93 +/- 0.02  42.040% *  9.2758% (0.10  10.0   2.46  12.93) =   6.926%  kept
          HA    VAL  107 - HN    ALA   91  10.70 +/- 0.53   0.019% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.51 +/- 1.91   0.010% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.44 +/- 0.96   0.001% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.28 +/- 0.46   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  13.01 +/- 1.06   0.006% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.45 +/- 0.66   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  23.91 +/- 0.72   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.39 +/- 0.85   0.000% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.41, residual support = 22.0:
          HB    THR   26 - HN    TRP   27   3.40 +/- 0.13  99.883% * 98.9945% (0.99   4.41  22.05) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  13.43 +/- 0.89   0.029% *  0.0793% (0.18   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  11.38 +/- 0.70   0.079% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  22.92 +/- 1.10   0.001% *  0.4372% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  19.28 +/- 1.59   0.004% *  0.0406% (0.09   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  27.75 +/- 0.88   0.000% *  0.3290% (0.73   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  20.63 +/- 0.79   0.002% *  0.0555% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  22.06 +/- 0.72   0.001% *  0.0540% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.10 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  24.01 +/- 0.44 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.28 A violated in 20 structures by 19.73 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.245, support = 4.4, residual support = 33.7:
      O   HB    THR   26 - HN    THR   26   2.17 +/- 0.45  92.831% * 21.3631% (0.15  10.0   4.16  35.06) =  77.942%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.00   7.160% * 78.3875% (0.57  10.0   5.25  29.10) =  22.058%  kept
          HA    ILE   19 - HN    THR   26  11.25 +/- 0.47   0.007% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    THR   26  14.35 +/- 0.91   0.002% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  24.88 +/- 1.21   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    THR   26  22.20 +/- 0.69   0.000% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.678, support = 3.04, residual support = 6.32:
          HB    THR   23 - HN    GLU-  25   3.15 +/- 0.54  81.804% * 29.8421% (0.53   2.80   6.32) =  66.574%  kept
          HA    THR   23 - HN    GLU-  25   4.25 +/- 0.21  17.663% * 69.3849% (0.98   3.50   6.32) =  33.422%  kept
          HA    LEU   80 - HN    GLU-  25   7.57 +/- 0.58   0.519% *  0.2779% (0.69   0.02   0.02) =   0.004%
          HA    ASP-  78 - HN    GLU-  25  13.79 +/- 0.37   0.014% *  0.3827% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  24.28 +/- 0.58   0.000% *  0.1125% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.87, residual support = 127.2:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.02  99.979% * 99.7793% (0.87  10.0   5.87 127.23) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  12.04 +/- 0.96   0.015% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.79 +/- 0.47   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    GLU-  25  22.63 +/- 0.69   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.717, support = 5.2, residual support = 25.5:
      O   HA    THR   23 - HN    VAL   24   2.32 +/- 0.09  81.053% * 92.1929% (0.73  10.0   5.20  25.50) =  98.182%  kept
          HB    THR   23 - HN    VAL   24   3.12 +/- 0.39  18.157% *  7.6190% (0.22   1.0   5.39  25.50) =   1.818%  kept
          HA    LEU   80 - HN    VAL   24   5.19 +/- 0.60   0.777% *  0.0433% (0.34   1.0   0.02  10.33) =   0.000%
          HA    ASP-  78 - HN    VAL   24  11.17 +/- 0.38   0.006% *  0.1225% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  11.21 +/- 0.65   0.007% *  0.0222% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.715, support = 3.3, residual support = 19.2:
      O   HA    THR   23 - HN    THR   23   2.89 +/- 0.05  80.871% * 37.7551% (0.61  10.0   3.05  19.22) =  72.280%  kept
      O   HB    THR   23 - HN    THR   23   3.70 +/- 0.14  18.853% * 62.1094% (1.00  10.0   3.95  19.22) =  27.720%  kept
          HA    LEU   80 - HN    THR   23   7.67 +/- 0.58   0.256% *  0.0589% (0.95   1.0   0.02   6.67) =   0.000%
          HA    ASP-  78 - HN    THR   23  11.65 +/- 0.55   0.020% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.94 +/- 0.61   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.728, support = 0.02, residual support = 0.02:
          HA    ALA   20 - HN    THR   23   6.82 +/- 0.10  98.810% * 46.5057% (0.73   0.02   0.02) =  98.633%  kept
          HA    LEU   71 - HN    THR   23  14.36 +/- 0.73   1.190% * 53.4943% (0.84   0.02   0.02) =   1.367%  kept
    Distance limit 3.84 A violated in 20 structures by 2.96 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.25, residual support = 14.2:
          HB    THR   26 - HN    THR   23   3.55 +/- 0.24  99.959% * 98.3538% (0.99   2.25  14.20) = 100.000%  kept
          HA    SER   82 - HN    THR   23  13.41 +/- 0.74   0.039% *  0.1545% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  22.36 +/- 1.44   0.002% *  0.8513% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  28.15 +/- 1.24   0.000% *  0.6405% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.07 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.47, residual support = 94.2:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.625% * 99.7763% (0.98  10.0   2.47  94.16) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   4.76 +/- 0.58   0.375% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.75 +/- 1.36   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  20.95 +/- 0.76   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.60 +/- 1.06   0.000% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.87, residual support = 32.5:
        T HN    ASN   28 - HN    GLU-  29   2.63 +/- 0.07  99.262% * 99.7796% (0.76 10.00   4.87  32.53) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   6.01 +/- 0.23   0.728% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  12.25 +/- 0.46   0.010% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  19.61 +/- 0.70   0.001% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 6.95, residual support = 48.2:
        T HN    LEU   31 - HN    GLN   30   2.54 +/- 0.10  99.988% * 98.4622% (0.73 10.00   6.95  48.16) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  25.41 +/- 1.12   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  16.87 +/- 0.45   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.49 +/- 0.72   0.008% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  21.10 +/- 0.61   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  16.62 +/- 0.82   0.001% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.42 +/- 1.35   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.48 +/- 0.91   0.001% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.24 +/- 1.09   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.72 +/- 0.90   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.84, residual support = 45.6:
        T HN    LEU   31 - HN    GLN   32   2.62 +/- 0.13  99.931% * 99.0995% (0.98 10.00   5.84  45.63) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.93 +/- 0.13   0.067% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  27.95 +/- 1.05   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  17.84 +/- 0.79   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  22.85 +/- 0.59   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.22 +/- 1.26   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 44.4:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 99.4510% (0.87  10.0   1.00  44.35) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  20.07 +/- 2.70   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  28.56 +/- 3.00   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.17 +/- 3.47   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  33.62 +/- 2.08   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 44.4:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.989% * 98.9152% (0.83  10.0 10.00   1.00  44.35) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90  11.00 +/- 2.46   0.010% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  15.57 +/- 2.20   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  20.07 +/- 2.70   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  19.90 +/- 1.74   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  28.56 +/- 3.00   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  19.30 +/- 2.14   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.69 +/- 1.68   0.000% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  26.58 +/- 0.95   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  21.84 +/- 2.61   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  24.26 +/- 1.61   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.02 +/- 1.76   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.84 +/- 1.42   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  24.01 +/- 1.61   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  26.62 +/- 1.72   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 52.1:
          HN    GLU-  36 - HN    ASN   35   2.33 +/- 0.03  98.999% * 98.7867% (0.90   5.88  52.14) =  99.996%  kept
          HN    THR   39 - HN    ASN   35   5.04 +/- 0.21   0.986% *  0.3618% (0.97   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HN    ASN   35  11.36 +/- 1.61   0.011% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.73 +/- 0.20   0.004% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  17.22 +/- 0.69   0.001% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  24.43 +/- 0.56   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 55.5:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.55) = 100.000%  kept
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 55.5:
      O   HA    ASN   35 - HN    ASN   35   2.84 +/- 0.01  99.664% * 99.5029% (0.98  10.0   4.55  55.55) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   8.94 +/- 0.74   0.120% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.07 +/- 0.24   0.195% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  13.23 +/- 1.33   0.012% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  15.00 +/- 2.48   0.008% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  23.06 +/- 3.94   0.000% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  27.33 +/- 1.80   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  25.65 +/- 0.75   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.68 +/- 1.41   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 155.3:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.983% * 99.6989% (0.90  10.0   2.44 155.27) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   8.70 +/- 1.86   0.017% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  16.25 +/- 1.91   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  25.08 +/- 2.18   0.000% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.44, residual support = 155.3:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00 100.000% * 99.8775% (0.92  10.0 10.00   2.44 155.27) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  15.45 +/- 1.85   0.000% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  21.92 +/- 2.41   0.000% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.253, support = 0.0198, residual support = 0.0198:
          HA    VAL   42 - HN    GLN   30  11.37 +/- 0.42   9.340% *  6.4793% (0.25   0.02   0.02) =  52.185%  kept
          HA    VAL   42 - HN    LYS+  99   7.80 +/- 0.35  86.893% *  0.4257% (0.02   0.02   0.02) =  31.895%  kept
          HA    GLN   90 - HN    GLN   30  19.65 +/- 1.14   0.373% * 25.0767% (0.97   0.02   0.02) =   8.076%  kept
          HA    ALA  110 - HN    GLN   30  24.16 +/- 1.48   0.108% * 25.9267% (1.00   0.02   0.02) =   2.419%  kept
          HA    VAL  107 - HN    GLN   30  21.42 +/- 0.57   0.209% *  8.8635% (0.34   0.02   0.02) =   1.597%  kept
          HA    VAL  107 - HN    LYS+  99  14.59 +/- 0.31   2.065% *  0.5823% (0.02   0.02   0.02) =   1.037%  kept
          HA    PHE   55 - HN    GLN   30  27.22 +/- 1.41   0.051% * 21.7040% (0.84   0.02   0.02) =   0.960%  kept
          HA    ALA   91 - HN    GLN   30  22.02 +/- 0.85   0.188% *  5.7850% (0.22   0.02   0.02) =   0.937%  kept
          HA    ALA  110 - HN    LYS+  99  20.51 +/- 1.08   0.282% *  1.7034% (0.07   0.02   0.02) =   0.414%
          HA    GLN   90 - HN    LYS+  99  20.91 +/- 0.43   0.239% *  1.6475% (0.06   0.02   0.02) =   0.340%
          HA    PHE   55 - HN    LYS+  99  26.18 +/- 1.56   0.065% *  1.4259% (0.05   0.02   0.02) =   0.079%
          HA    ALA   91 - HN    LYS+  99  21.82 +/- 0.38   0.186% *  0.3801% (0.01   0.02   0.02) =   0.061%
    Distance limit 4.17 A violated in 20 structures by 3.46 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.807, support = 4.68, residual support = 39.2:
          HN    ALA   34 - HN    LYS+  33   2.52 +/- 0.08  63.220% * 79.1634% (0.90   4.59  43.26) =  87.138%  kept
          HN    GLN   32 - HN    LYS+  33   2.76 +/- 0.08  36.779% * 20.0845% (0.20   5.28  11.53) =  12.862%  kept
          HN    LEU   80 - HN    LYS+  33  17.64 +/- 0.58   0.001% *  0.3710% (0.97   0.02   0.02) =   0.000%
          HN    CYSS  53 - HN    LYS+  33  26.28 +/- 0.70   0.000% *  0.3811% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 55.5:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.55) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  20.71 +/- 1.28   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  20.37 +/- 1.18   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  17.99 +/- 1.11   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  19.29 +/- 1.45   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  29.83 +/- 1.85   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.88, residual support = 52.1:
        T HN    ASN   35 - HN    GLU-  36   2.33 +/- 0.03  99.994% * 99.7986% (0.99 10.00   5.88  52.14) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.66 +/- 0.66   0.004% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  15.64 +/- 2.61   0.002% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.336, support = 3.57, residual support = 15.3:
          HN    GLU-  36 - HN    SER   37   2.46 +/- 0.08  83.156% * 40.7094% (0.25   3.97  18.80) =  78.105%  kept
          HN    THR   39 - HN    SER   37   3.22 +/- 0.06  16.836% * 56.3652% (0.65   2.12   2.59) =  21.895%  kept
          HN    TRP   27 - HN    SER   37  15.60 +/- 0.34   0.001% *  0.8146% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  12.83 +/- 1.47   0.005% *  0.1112% (0.14   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  17.98 +/- 0.72   0.001% *  0.3085% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  20.41 +/- 0.60   0.000% *  0.4985% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  23.12 +/- 0.89   0.000% *  0.5646% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  27.21 +/- 0.45   0.000% *  0.6281% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.937, support = 5.21, residual support = 22.0:
          HN    THR   39 - HN    LYS+  38   2.56 +/- 0.03  88.551% * 83.2466% (0.95   5.29  22.48) =  97.613%  kept
          HN    GLU-  36 - HN    LYS+  38   3.60 +/- 0.06  11.431% * 15.7728% (0.57   1.68   0.63) =   2.387%  kept
          HN    LYS+ 102 - HN    LYS+  38  11.39 +/- 1.41   0.015% *  0.1248% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.51 +/- 0.28   0.001% *  0.2540% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  20.33 +/- 0.59   0.000% *  0.3068% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  17.56 +/- 0.72   0.001% *  0.0450% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  23.25 +/- 0.91   0.000% *  0.1134% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  26.97 +/- 0.43   0.000% *  0.1367% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 51.4:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.01  88.263% * 83.8077% (0.38  10.0   4.70  52.14) =  97.788%  kept
          HA    SER   37 - HN    GLU-  36   5.04 +/- 0.07  11.239% * 14.8821% (0.38   1.0   3.55  18.80) =   2.211%  kept
          HA    LEU   40 - HN    GLU-  36   9.54 +/- 0.17   0.246% *  0.2233% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    GLU-  36  13.16 +/- 1.54   0.049% *  0.2112% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  13.88 +/- 2.66   0.047% *  0.2112% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  36  10.56 +/- 0.68   0.146% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  17.64 +/- 1.44   0.007% *  0.0838% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  24.14 +/- 4.10   0.001% *  0.1175% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  26.99 +/- 0.77   0.000% *  0.2155% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  24.23 +/- 0.50   0.001% *  0.1001% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  29.01 +/- 1.67   0.000% *  0.0918% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.06, residual support = 86.8:
      O   HA    GLU-  36 - HN    GLU-  36   2.83 +/- 0.03  99.999% * 99.7892% (0.69  10.0   6.06  86.76) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  20.94 +/- 0.99   0.001% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  24.79 +/- 0.61   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  25.04 +/- 4.67   0.000% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.07, residual support = 26.6:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.756% * 99.4774% (0.97  10.0   4.07  26.64) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.41 +/- 0.11   0.174% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  12.20 +/- 1.55   0.028% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  13.01 +/- 2.51   0.025% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.01 +/- 0.26   0.013% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  16.73 +/- 1.55   0.003% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.51 +/- 0.49   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  26.09 +/- 0.87   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.8:
      O   HA    GLU-  36 - HN    SER   37   3.47 +/- 0.01  99.996% * 99.6452% (0.34  10.0   4.29  18.80) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  19.25 +/- 1.06   0.004% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  26.01 +/- 0.53   0.001% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.81, residual support = 13.5:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.02  98.902% * 99.2058% (0.73  10.0   4.81  13.51) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.35 +/- 0.07   0.983% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  13.28 +/- 1.44   0.037% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  14.40 +/- 2.41   0.029% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.64 +/- 0.22   0.038% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  17.49 +/- 1.52   0.006% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.77 +/- 0.40   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  21.71 +/- 4.66   0.002% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  26.15 +/- 0.88   0.000% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  28.32 +/- 1.80   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 0.632, residual support = 0.632:
          HA    GLU-  36 - HN    LYS+  38   4.20 +/- 0.04  99.978% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    LYS+  66 - HN    LYS+  38  19.10 +/- 1.04   0.012% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  38  22.24 +/- 5.36   0.007% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  26.32 +/- 0.49   0.002% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  30.53 +/- 1.82   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.64, residual support = 37.3:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.02  99.982% * 99.4345% (1.00  10.0   3.64  37.34) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  13.20 +/- 0.32   0.011% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  17.22 +/- 2.50   0.004% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.71 +/- 0.28   0.003% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.86 +/- 1.18   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.84 +/- 0.74   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  24.80 +/- 0.49   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.67 +/- 0.46   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  31.98 +/- 1.01   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 23.7:
      O   HA    THR   39 - HN    LEU   40   2.31 +/- 0.02  99.986% * 99.4345% (1.00  10.0   4.03  23.65) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.70 +/- 0.58   0.011% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.19 +/- 0.28   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  19.89 +/- 2.74   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.66 +/- 1.31   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.56 +/- 0.71   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  23.66 +/- 0.52   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.13 +/- 0.50   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.26 +/- 0.92   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 103.9:
      O   HA    LEU   40 - HN    LEU   40   2.79 +/- 0.01  96.006% * 99.4414% (1.00  10.0   5.21 103.90) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   5.04 +/- 0.63   3.671% *  0.0248% (0.25   1.0   0.02  12.59) =   0.001%
          HA    ASN   35 - HN    LEU   40   8.11 +/- 0.19   0.161% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    LEU   40   8.56 +/- 0.04   0.115% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.64 +/- 1.21   0.023% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  15.47 +/- 2.07   0.005% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  15.06 +/- 4.90   0.008% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  13.88 +/- 1.49   0.009% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  20.21 +/- 1.12   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.82 +/- 0.39   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  22.42 +/- 1.98   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.51, residual support = 73.8:
      O   HA    VAL   41 - HN    VAL   41   2.91 +/- 0.02  99.992% * 99.4222% (0.22  10.0   4.51  73.83) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.75 +/- 0.21   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.83 +/- 0.58   0.001% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  23.50 +/- 0.40   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 19.8:
      O   HA    LEU   40 - HN    VAL   41   2.25 +/- 0.04  84.974% * 99.4414% (1.00  10.0   5.02  19.75) =  99.996%  kept
          HA    LYS+  99 - HN    VAL   41   3.06 +/- 0.26  14.962% *  0.0248% (0.25   1.0   0.02   0.02) =   0.004%
          HA    ASN   35 - HN    VAL   41   7.71 +/- 0.33   0.053% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  11.04 +/- 0.23   0.006% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  13.76 +/- 0.95   0.002% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  16.49 +/- 4.26   0.001% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  15.34 +/- 1.11   0.001% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.16 +/- 1.99   0.000% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  20.16 +/- 1.11   0.000% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  18.29 +/- 0.21   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  21.23 +/- 2.29   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.06, residual support = 28.8:
        T HN    LEU   98 - HN    VAL   41   3.37 +/- 0.41 100.000% *100.0000% (0.97 10.00   5.06  28.82) = 100.000%  kept
    Distance limit 4.05 A violated in 1 structures by 0.05 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.96, residual support = 6.0:
          HA    PHE   72 - HN    VAL   42   3.87 +/- 0.37 100.000% *100.0000% (0.22   1.96   6.00) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.04, residual support = 22.1:
      O   HA    VAL   41 - HN    VAL   42   2.21 +/- 0.03  99.993% * 99.4222% (0.22  10.0   5.04  22.12) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.19 +/- 0.20   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  15.64 +/- 0.69   0.001% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.16 +/- 0.34   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.39, residual support = 87.6:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.947% * 99.6568% (0.87  10.0   5.39  87.61) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  11.91 +/- 0.85   0.025% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.50 +/- 0.39   0.017% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.68 +/- 0.27   0.006% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.08 +/- 1.53   0.002% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  18.49 +/- 0.83   0.002% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  21.85 +/- 1.46   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.0, residual support = 38.9:
      O   HA    VAL   42 - HN    VAL   43   2.20 +/- 0.02  99.990% * 99.7026% (1.00  10.0   5.00  38.90) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.67 +/- 0.13   0.005% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.92 +/- 0.70   0.002% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  14.63 +/- 0.81   0.001% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.40 +/- 1.48   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.61 +/- 0.36   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  19.03 +/- 1.30   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 2.74, residual support = 6.13:
          HA    LYS+  74 - HN    ASP-  44   3.52 +/- 0.24  99.226% * 95.9967% (0.28   2.75   6.13) =  99.993%  kept
          HA    MET   92 - HN    ASP-  44  10.41 +/- 0.27   0.162% *  2.1820% (0.87   0.02   0.02) =   0.004%
          HA    VAL   41 - HN    ASP-  44   8.37 +/- 0.19   0.600% *  0.4978% (0.20   0.02   0.02) =   0.003%
          HA    HIS  122 - HN    ASP-  44  16.42 +/- 2.22   0.013% *  1.3235% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.06 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.2:
      O   HA    VAL   43 - HN    ASP-  44   2.19 +/- 0.02  99.965% * 99.8182% (0.87  10.0   3.71  15.22) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.31 +/- 0.42   0.018% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  10.00 +/- 1.28   0.016% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  14.77 +/- 0.61   0.001% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.77, residual support = 37.8:
      O   HA    ASP-  44 - HN    ASP-  44   2.92 +/- 0.00  99.930% * 98.9185% (0.49  10.0   3.77  37.77) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.55 +/- 0.49   0.027% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  14.46 +/- 0.36   0.007% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.14 +/- 0.44   0.020% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.84 +/- 0.44   0.006% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  14.09 +/- 0.52   0.008% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.65 +/- 0.98   0.002% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  23.30 +/- 1.53   0.000% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  25.58 +/- 2.47   0.000% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.1:
        T HN    THR   94 - HN    PHE   45   3.48 +/- 0.37  99.847% * 99.8815% (0.84 10.00   3.30  27.08) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.54 +/- 0.38   0.153% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.62, residual support = 80.3:
          QD    PHE   45 - HN    PHE   45   2.09 +/- 0.37  99.996% * 98.5415% (0.53   5.62  80.32) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.45 +/- 1.66   0.003% *  0.6430% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  17.73 +/- 1.96   0.001% *  0.6303% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  18.01 +/- 1.39   0.000% *  0.1853% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.60 +/- 0.45 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.01, residual support = 80.3:
      O   HA    PHE   45 - HN    PHE   45   2.94 +/- 0.00  99.957% * 99.9134% (0.99  10.0   4.01  80.32) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.21 +/- 0.13   0.019% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.06 +/- 0.47   0.021% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.29 +/- 1.30   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 19.1:
      O   HA    ASP-  44 - HN    PHE   45   2.29 +/- 0.01  99.925% * 99.3093% (1.00  10.0   4.04  19.15) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.63 +/- 0.66   0.038% *  0.0984% (0.99   1.0   0.02   8.45) =   0.000%
          HA    SER   85 - HN    PHE   45  12.34 +/- 0.69   0.004% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45  10.14 +/- 1.91   0.022% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  13.50 +/- 0.52   0.002% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.12 +/- 0.44   0.003% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  13.83 +/- 0.43   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  14.13 +/- 0.44   0.002% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.32 +/- 0.27   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  21.38 +/- 1.02   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.65 +/- 2.45   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.23 +/- 1.42   0.000% *  0.0483% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.41, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.49 +/- 0.09  99.820% * 94.4368% (0.22   4.41  12.48) =  99.998%  kept
          HD2   HIS  122 - HN    THR   46  17.41 +/- 0.97   0.031% *  1.8181% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    THR   46  17.78 +/- 1.56   0.031% *  1.1657% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.90 +/- 2.40   0.016% *  1.8549% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    THR   46  14.94 +/- 1.59   0.095% *  0.2966% (0.15   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  22.40 +/- 1.24   0.007% *  0.4279% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.08 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.98:
          HA    ASP-  76 - HN    THR   46   2.74 +/- 0.36  99.999% * 98.8091% (0.53   2.74   3.98) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  18.43 +/- 1.25   0.001% *  1.1909% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.97, residual support = 12.5:
      O   HA    PHE   45 - HN    THR   46   2.29 +/- 0.03  99.940% * 99.9017% (0.76  10.0   3.97  12.48) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.19 +/- 0.39   0.049% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  10.76 +/- 0.68   0.010% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  15.13 +/- 0.22   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.5:
      O   HA    THR   46 - HN    THR   46   2.93 +/- 0.02  99.786% * 99.4016% (0.57  10.0   3.25  34.51) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   9.64 +/- 1.55   0.166% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.38 +/- 0.14   0.018% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  12.72 +/- 2.00   0.020% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  14.77 +/- 0.69   0.006% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.92 +/- 0.84   0.004% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  24.89 +/- 0.56   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.62, residual support = 12.0:
          HN    THR   77 - HN    THR   46   3.05 +/- 0.39 100.000% *100.0000% (1.00   3.62  12.02) = 100.000%  kept
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 2.33, residual support = 10.9:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.02  60.128% * 96.8065% (0.90  10.0   2.36  10.99) =  98.045%  kept
          HA    CYSS  50 - HN    ALA   47   3.19 +/- 0.40  39.476% *  2.9393% (0.73   1.0   0.75   7.17) =   1.954%  kept
          HA    TRP   49 - HN    ALA   47   6.84 +/- 0.20   0.365% *  0.0568% (0.53   1.0   0.02  16.05) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.56 +/- 1.07   0.018% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  13.25 +/- 1.33   0.008% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  13.94 +/- 0.61   0.005% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 12.7:
      O   HA    THR   46 - HN    ALA   47   2.47 +/- 0.12  99.945% * 99.4016% (0.57  10.0   3.07  12.67) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47  10.63 +/- 1.44   0.029% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  11.80 +/- 0.57   0.009% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  11.51 +/- 2.18   0.014% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.80 +/- 0.18   0.002% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  17.70 +/- 1.03   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.73 +/- 0.66   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.834, support = 4.37, residual support = 15.5:
        T HN    TRP   49 - HN    SER   48   2.72 +/- 0.10  90.265% * 94.3933% (0.84 10.00   4.38  15.61) =  99.372%  kept
          HN    CYSS  50 - HN    SER   48   3.97 +/- 0.28   9.727% *  5.5379% (0.61  1.00   1.62   0.02) =   0.628%  kept
          HN    VAL   83 - HN    SER   48  13.44 +/- 0.70   0.007% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  19.22 +/- 2.35   0.001% *  0.0465% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 2.19, residual support = 6.27:
      O   HA    ALA   47 - HN    SER   48   2.35 +/- 0.01  98.686% * 99.6576% (0.90  10.0   2.19   6.27) =  99.999%  kept
          HA    TRP   49 - HN    SER   48   5.27 +/- 0.08   0.786% *  0.0585% (0.53   1.0   0.02  15.61) =   0.000%
          HA    CYSS  50 - HN    SER   48   5.67 +/- 0.23   0.523% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  14.70 +/- 1.29   0.002% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  15.95 +/- 1.65   0.001% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  14.74 +/- 1.22   0.002% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.6, residual support = 74.8:
          HD1   TRP   49 - HN    TRP   49   2.13 +/- 0.69  99.936% * 98.1812% (0.92   4.60  74.80) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.25 +/- 1.44   0.028% *  0.2988% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.59 +/- 0.84   0.024% *  0.1152% (0.25   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  13.98 +/- 1.84   0.007% *  0.3699% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  16.16 +/- 1.26   0.003% *  0.3173% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  18.25 +/- 0.71   0.002% *  0.0914% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  23.80 +/- 0.92   0.000% *  0.4528% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  29.17 +/- 1.04   0.000% *  0.1734% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.05 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.38, residual support = 15.6:
        T HN    SER   48 - HN    TRP   49   2.72 +/- 0.10 100.000% *100.0000% (0.84 10.00   4.38  15.61) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (4.58, 6.60, 121.96 ppm):
    7 chemical-shift based assignments, quality = 0.971, support = 1.92, residual support = 6.96:
      O   HA    CYSS  50 - HN    CYSS  50   2.24 +/- 0.15  90.042% * 50.9988% (0.98  10.0   1.85   7.28) =  92.161%  kept
      O   HA    TRP   49 - HN    CYSS  50   3.52 +/- 0.21   7.997% * 48.8319% (0.87  10.0   2.72   3.13) =   7.837%  kept
          HA    ALA   47 - HN    CYSS  50   4.27 +/- 0.36   1.956% *  0.0319% (0.57   1.0   0.02   7.17) =   0.001%
          HA1   GLY  109 - HN    CYSS  50  14.09 +/- 1.88   0.002% *  0.0543% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYSS  50  13.46 +/- 1.45   0.002% *  0.0252% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYSS  50  16.83 +/- 1.12   0.001% *  0.0387% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYSS  50  27.55 +/- 0.52   0.000% *  0.0192% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 4.16, residual support = 73.4:
      O   HA    TRP   49 - HN    TRP   49   2.87 +/- 0.03  85.196% * 79.3120% (0.87  10.0   4.19  74.80) =  97.923%  kept
          HA    CYSS  50 - HN    TRP   49   4.53 +/- 0.21   5.803% * 12.7448% (0.98   1.0   2.84   3.13) =   1.072%  kept
          HA    ALA   47 - HN    TRP   49   4.20 +/- 0.14   8.989% *  7.7200% (0.57   1.0   2.98  16.05) =   1.006%  kept
          HA1   GLY  109 - HN    TRP   49  15.58 +/- 1.87   0.004% *  0.0882% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  14.98 +/- 1.42   0.005% *  0.0410% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  16.97 +/- 1.29   0.002% *  0.0628% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  28.59 +/- 0.61   0.000% *  0.0312% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.07, residual support = 74.8:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.969% * 99.6863% (0.92  10.0   2.07  74.80) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  11.05 +/- 1.67   0.026% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  15.93 +/- 1.70   0.003% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  17.47 +/- 1.35   0.001% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  23.64 +/- 1.27   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  28.54 +/- 1.73   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.39, residual support = 1.39:
      O   HA    CYSS  50 - HN    GLY   51   3.02 +/- 0.10  81.861% * 99.4348% (0.98  10.0   1.39   1.39) =  99.972%  kept
          HA    TRP   49 - HN    GLY   51   3.97 +/- 0.27  17.339% *  0.1265% (0.87   1.0   0.02   0.02) =   0.027%
          HA    ALA   47 - HN    GLY   51   6.76 +/- 0.50   0.771% *  0.0826% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    GLY   51  13.34 +/- 2.19   0.015% *  0.1408% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  13.52 +/- 1.67   0.012% *  0.0654% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  19.33 +/- 1.24   0.001% *  0.1002% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.76 +/- 0.51   0.000% *  0.0498% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.83, residual support = 10.1:
      O   HA1   GLY   51 - HN    GLY   51   2.26 +/- 0.01  99.974% * 99.5416% (0.92  10.0   2.83  10.06) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.79 +/- 0.71   0.009% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  10.14 +/- 0.70   0.014% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  15.17 +/- 0.93   0.001% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.26 +/- 0.38   0.002% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.05 +/- 1.01   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.22 +/- 2.47   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.97 +/- 0.52   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  29.86 +/- 0.86   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  38.32 +/- 2.61   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.17, residual support = 31.3:
        T HN    ARG+  54 - HN    CYSS  53   2.68 +/- 0.09  99.993% * 99.1159% (0.98 10.00   6.17  31.26) = 100.000%  kept
        T HN    ASP-  62 - HN    CYSS  53  13.41 +/- 0.88   0.007% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYSS  53  23.25 +/- 0.63   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYSS  53  29.75 +/- 0.55   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.17, residual support = 31.3:
        T HN    CYSS  53 - HN    ARG+  54   2.68 +/- 0.09  99.990% * 99.6035% (0.85 10.00   6.17  31.26) = 100.000%  kept
        T HN    CYSS  53 - HN    ASP-  62  13.41 +/- 0.88   0.007% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  17.16 +/- 1.16   0.002% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.97 +/- 1.47   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.75 +/- 1.30   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  21.20 +/- 1.11   0.000% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  20.47 +/- 0.61   0.001% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  23.50 +/- 1.05   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  12.86 +/- 1.08  62.380% *  4.3392% (0.10   0.02   0.02) =  40.616%  kept
          HD21  ASN   69 - HN    ASP-  62  14.89 +/- 0.81  27.282% *  5.8573% (0.14   0.02   0.02) =  23.978%  kept
          HN    TRP   87 - HN    ARG+  54  20.20 +/- 0.66   4.180% * 29.7440% (0.69   0.02   0.02) =  18.654%  kept
          HN    GLN   17 - HN    ARG+  54  21.58 +/- 1.83   3.056% * 23.1904% (0.54   0.02   0.02) =  10.633%  kept
          HD21  ASN   69 - HN    ARG+  54  26.04 +/- 1.15   0.913% * 31.3037% (0.72   0.02   0.02) =   4.291%  kept
          HN    TRP   87 - HN    ASP-  62  22.51 +/- 0.63   2.189% *  5.5654% (0.13   0.02   0.02) =   1.828%  kept
    Distance limit 3.78 A violated in 20 structures by 8.02 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.93, residual support = 18.4:
          HN    PHE   55 - HN    ILE   56   2.56 +/- 0.20  99.765% * 99.1159% (0.95   3.93  18.37) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.71 +/- 0.58   0.038% *  0.1644% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.22 +/- 0.14   0.100% *  0.0201% (0.04   0.02   5.15) =   0.000%
          HN    LEU   31 - HZ2   TRP   87   8.31 +/- 0.75   0.096% *  0.0087% (0.02   0.02   1.92) =   0.000%
          HN    ALA   88 - HN    ILE   56  20.48 +/- 1.41   0.000% *  0.4621% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  23.97 +/- 1.12   0.000% *  0.1999% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  22.61 +/- 0.80   0.000% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  21.72 +/- 0.91   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 33.9:
          HN    ALA   57 - HN    ILE   56   3.28 +/- 0.67  99.839% * 99.0120% (0.87   5.17  33.92) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  12.13 +/- 1.96   0.079% *  0.3535% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  13.95 +/- 1.31   0.040% *  0.1815% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  18.41 +/- 2.23   0.006% *  0.3959% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  14.66 +/- 1.26   0.031% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  21.63 +/- 1.66   0.003% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  25.66 +/- 1.75   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  23.36 +/- 1.22   0.001% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 4 structures by 0.36 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.04, residual support = 123.2:
      O   HA    ILE   56 - HN    ILE   56   2.90 +/- 0.08  99.511% * 95.8570% (0.15  10.0   5.04 123.22) =  99.998%  kept
          HA    PRO   58 - HN    ILE   56   7.77 +/- 0.43   0.292% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ILE   56   9.18 +/- 0.97   0.123% *  0.4975% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ILE   56  18.06 +/- 1.52   0.002% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  18.41 +/- 2.37   0.005% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  16.92 +/- 1.33   0.003% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  22.82 +/- 1.48   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  10.85 +/- 1.01   0.043% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  23.00 +/- 1.32   0.000% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  14.37 +/- 1.22   0.008% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.20 +/- 0.63   0.008% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  29.54 +/- 1.74   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  30.49 +/- 1.18   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  19.63 +/- 0.93   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  19.50 +/- 0.94   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  20.20 +/- 0.74   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  24.06 +/- 2.12   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  23.52 +/- 1.28   0.000% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  22.51 +/- 2.09   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  25.55 +/- 2.05   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 33.9:
          HN    ILE   56 - HN    ALA   57   3.28 +/- 0.67  98.678% * 98.5659% (0.98   5.17  33.92) =  99.995%  kept
          HN    LEU   63 - HN    ALA   57   8.27 +/- 0.71   0.905% *  0.3590% (0.92   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    ALA   57  10.02 +/- 2.61   0.409% *  0.3488% (0.90   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   57  20.54 +/- 1.29   0.003% *  0.3488% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  21.63 +/- 1.66   0.003% *  0.0681% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.55 +/- 1.23   0.001% *  0.1200% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  29.82 +/- 1.66   0.000% *  0.1893% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 1 structures by 0.32 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.32, residual support = 20.6:
        T HN    PHE   60 - HN    PHE   59   2.79 +/- 0.10  99.685% * 97.7864% (0.47 10.00   4.32  20.55) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59   9.85 +/- 0.97   0.066% *  0.6051% (0.29 10.00   0.02  10.92) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.10 +/- 1.04   0.248% *  0.0282% (0.14  1.00   0.02   0.33) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  20.98 +/- 1.04   0.001% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.251, support = 4.86, residual support = 57.7:
      O   HA    PHE   59 - HN    PHE   59   2.76 +/- 0.03  82.729% * 86.5232% (0.24  10.0   4.97  58.85) =  97.099%  kept
          HA    ILE   56 - HN    PHE   59   3.94 +/- 0.79  17.236% * 12.4088% (0.69   1.0   0.99  20.66) =   2.901%  kept
          HA    ASP- 113 - HN    PHE   59  11.01 +/- 1.18   0.027% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  13.47 +/- 1.07   0.007% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.57 +/- 1.74   0.001% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  19.59 +/- 1.66   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  25.90 +/- 1.36   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.47, residual support = 24.3:
      O   HA    ALA   57 - HN    ALA   57   2.63 +/- 0.23  99.943% * 99.2309% (0.76  10.0   4.47  24.29) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57  10.96 +/- 1.08   0.032% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  11.31 +/- 1.64   0.021% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.99 +/- 1.44   0.003% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  20.90 +/- 1.08   0.000% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.72 +/- 1.47   0.000% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.80 +/- 1.63   0.000% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  23.55 +/- 1.47   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  33.24 +/- 1.99   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.986, support = 4.65, residual support = 33.8:
      O   HA    ILE   56 - HN    ALA   57   3.14 +/- 0.28  92.464% * 91.0484% (0.99  10.0   4.64  33.92) =  99.246%  kept
          HA    PRO   58 - HN    ALA   57   4.86 +/- 0.15   7.497% *  8.5341% (0.34   1.0   5.45  24.02) =   0.754%  kept
          HA    ASP- 113 - HN    ALA   57  12.46 +/- 0.97   0.028% *  0.0520% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  16.61 +/- 1.60   0.006% *  0.0917% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.43 +/- 1.55   0.001% *  0.0824% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.45 +/- 1.57   0.001% *  0.0447% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  20.43 +/- 1.37   0.002% *  0.0284% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  27.31 +/- 1.36   0.000% *  0.0900% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  27.17 +/- 1.56   0.000% *  0.0284% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 5.3, residual support = 41.9:
        T HN    PHE   60 - HN    ALA   61   2.71 +/- 0.11  99.969% * 97.7864% (0.61 10.00   5.30  41.86) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.57 +/- 0.70   0.011% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  17.09 +/- 1.19   0.002% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.59 +/- 1.03   0.019% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.539, support = 4.43, residual support = 33.3:
          QD    PHE   60 - HN    ALA   61   3.86 +/- 0.48  64.518% * 49.1662% (0.57   4.77  41.86) =  79.160%  kept
          HN    PHE   59 - HN    ALA   61   4.40 +/- 0.25  32.360% * 24.1885% (0.41   3.23   0.63) =  19.533%  kept
          QE    PHE   59 - HN    ALA   61   7.27 +/- 0.93   1.983% * 26.1974% (0.80   1.80   0.63) =   1.296%  kept
          HN    LYS+  66 - HN    ALA   61   7.68 +/- 0.36   1.137% *  0.3571% (0.98   0.02   0.02) =   0.010%
          HN    LYS+  81 - HN    ALA   61  22.10 +/- 1.00   0.002% *  0.0908% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 1.08, residual support = 1.08:
          HA    PRO   58 - HN    ALA   61   3.48 +/- 0.25  98.170% * 90.2197% (0.97   1.08   1.08) =  99.985%  kept
          HA    ILE   56 - HN    ALA   61   7.33 +/- 0.70   1.485% *  0.7113% (0.41   0.02   0.02) =   0.012%
          HA    GLN   17 - HN    ALA   61  10.59 +/- 1.17   0.175% *  0.6494% (0.38   0.02   0.02) =   0.001%
          HA    THR   46 - HN    ALA   61  11.15 +/- 1.21   0.116% *  0.7757% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ALA   61  15.52 +/- 1.21   0.015% *  1.6367% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   61  14.10 +/- 0.96   0.026% *  0.9103% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  18.03 +/- 1.12   0.006% *  1.7302% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  22.20 +/- 1.55   0.002% *  1.6367% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  19.44 +/- 1.18   0.004% *  0.4314% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  23.78 +/- 0.83   0.001% *  0.6494% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  24.19 +/- 1.08   0.001% *  0.6494% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 2.0:
          HA    ALA   57 - HN    ALA   61   4.29 +/- 0.49  99.019% * 84.4589% (0.41   2.00   2.00) =  99.980%  kept
          HA    ASP-  44 - HN    ALA   61  10.33 +/- 1.11   0.831% *  1.7827% (0.87   0.02   0.02) =   0.018%
          HA1   GLY   51 - HN    ALA   61  15.34 +/- 1.02   0.053% *  1.4923% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   61  17.73 +/- 1.03   0.025% *  1.8971% (0.92   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  19.21 +/- 0.77   0.015% *  2.0144% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   61  19.44 +/- 1.11   0.016% *  1.7166% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   61  21.27 +/- 1.24   0.009% *  1.8431% (0.90   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  23.02 +/- 0.87   0.005% *  1.8971% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  19.01 +/- 1.33   0.019% *  0.3171% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  28.30 +/- 2.02   0.002% *  1.7166% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  25.27 +/- 1.49   0.003% *  0.4575% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  24.79 +/- 0.93   0.003% *  0.4067% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.14 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.4:
        T HN    ASP-  62 - HN    LEU   63   2.59 +/- 0.09  99.988% * 99.7221% (0.98 10.00   5.85  42.44) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.95 +/- 0.90   0.005% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  13.12 +/- 0.86   0.006% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.02 +/- 0.69   0.001% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.72 +/- 0.91   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.81, residual support = 53.2:
        T HN    ALA   64 - HN    LEU   63   2.71 +/- 0.15 100.000% *100.0000% (0.97 10.00   6.81  53.22) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.15, residual support = 26.8:
        T HN    LYS+  65 - HN    ALA   64   2.55 +/- 0.08 100.000% *100.0000% (0.97 10.00   4.15  26.76) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.81, residual support = 53.2:
          HN    LEU   63 - HN    ALA   64   2.71 +/- 0.15  99.982% * 99.0033% (0.99   6.81  53.22) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.36 +/- 0.81   0.012% *  0.2774% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  15.27 +/- 1.84   0.004% *  0.1778% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  20.43 +/- 1.10   0.001% *  0.1778% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  19.28 +/- 0.91   0.001% *  0.1205% (0.41   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  21.31 +/- 0.92   0.000% *  0.1778% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  23.64 +/- 0.98   0.000% *  0.0653% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.15, residual support = 26.8:
        T HN    ALA   64 - HN    LYS+  65   2.55 +/- 0.08 100.000% *100.0000% (0.67 10.00   4.15  26.76) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.677, support = 6.17, residual support = 25.5:
          HN    LYS+  66 - HN    LYS+  65   2.61 +/- 0.11  99.368% * 99.3338% (0.68   6.17  25.50) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.50 +/- 0.58   0.496% *  0.1860% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   9.05 +/- 0.73   0.064% *  0.2631% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.76 +/- 0.24   0.073% *  0.1351% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.93 +/- 1.24   0.000% *  0.0819% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 0.75, residual support = 3.23:
          HA    ASP-  62 - HN    LYS+  65   3.36 +/- 0.19  99.985% * 95.0307% (0.67   0.75   3.23) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.39 +/- 1.08   0.012% *  1.9068% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  20.99 +/- 2.01   0.003% *  2.6026% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  27.53 +/- 1.11   0.000% *  0.4599% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.17, residual support = 25.5:
        T HN    LYS+  65 - HN    LYS+  66   2.61 +/- 0.11 100.000% *100.0000% (0.97 10.00   6.17  25.50) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 112.9:
      O   HA    LYS+  66 - HN    LYS+  66   2.88 +/- 0.04  99.999% * 99.9389% (0.97  10.0   5.00 112.93) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.40 +/- 0.83   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  25.62 +/- 1.04   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0762, support = 2.61, residual support = 46.8:
          HD22  ASN   28 - HE3   TRP   27   4.78 +/- 0.24  99.984% * 94.2564% (0.08   2.61  46.83) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  20.63 +/- 1.14   0.016% *  5.7436% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 2 structures by 0.42 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.79, residual support = 57.7:
      O   HA    LEU   67 - HN    LEU   67   2.64 +/- 0.27  99.954% * 99.9623% (1.00  10.0   5.79  57.71) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27  10.24 +/- 0.66   0.042% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  15.93 +/- 1.75   0.002% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.29 +/- 1.03   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.45, residual support = 10.2:
      O   HA    LYS+  66 - HN    LEU   67   3.50 +/- 0.10  99.928% * 99.9186% (0.97  10.0   4.45  10.20) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  12.67 +/- 0.85   0.051% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.20 +/- 0.71   0.003% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.45 +/- 0.95   0.015% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  19.63 +/- 1.36   0.004% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  25.30 +/- 0.94   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 28.0:
        T HN    VAL   70 - HN    ASN   69   2.50 +/- 0.73  99.995% * 99.9644% (0.87 10.00   4.26  28.00) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  14.66 +/- 0.65   0.005% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.6, residual support = 61.7:
      O   HA    ASN   69 - HN    ASN   69   2.82 +/- 0.08  99.992% * 99.8231% (0.76  10.0   5.60  61.65) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  13.79 +/- 0.75   0.008% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.66 +/- 1.12   0.001% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 61.7:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.9103% (0.52  10.0 10.00   3.25  61.65) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.80 +/- 2.25   0.000% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.54 +/- 0.87   0.000% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 61.7:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.999% * 99.7566% (0.52  10.0   3.25  61.65) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  11.99 +/- 1.17   0.001% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  25.02 +/- 0.88   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  21.61 +/- 1.09   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.02, residual support = 40.2:
          QE    PHE   72 - HN    VAL   70   3.71 +/- 0.67  99.987% * 97.8818% (0.45   2.02  40.22) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  17.71 +/- 0.61   0.013% *  2.1182% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 28.0:
        T HN    ASN   69 - HN    VAL   70   2.50 +/- 0.73  99.976% * 99.8277% (0.76 10.00   4.26  28.00) = 100.000%  kept
          HN    ASP-  44 - HN    VAL   70  12.27 +/- 0.52   0.021% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.58 +/- 0.56   0.002% *  0.1236% (0.95  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  21.57 +/- 0.70   0.001% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.73, residual support = 28.0:
      O   HA    ASN   69 - HN    VAL   70   2.85 +/- 0.28  99.975% * 99.8197% (0.87  10.0   3.73  28.00) = 100.000%  kept
          HA    VAL   43 - HN    VAL   70  11.64 +/- 0.56   0.024% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    VAL   70  19.31 +/- 0.99   0.001% *  0.1060% (0.93   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.21, residual support = 83.6:
      O   HA    VAL   70 - HN    VAL   70   2.93 +/- 0.01  94.941% * 99.5350% (0.72  10.0   4.21  83.58) =  99.996%  kept
          HA1   GLY   16 - HN    VAL   70   6.25 +/- 1.61   4.687% *  0.0831% (0.60   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    VAL   70   8.99 +/- 0.79   0.132% *  0.1265% (0.91   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   70   8.30 +/- 0.85   0.220% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  12.73 +/- 0.59   0.015% *  0.0564% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  17.33 +/- 1.46   0.002% *  0.0995% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  16.81 +/- 0.45   0.003% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  27.42 +/- 0.92   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 138.2:
      O   HA    LEU   71 - HN    LEU   71   2.88 +/- 0.01  99.823% * 99.9402% (1.00  10.0   6.62 138.24) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.49 +/- 0.45   0.164% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.92 +/- 0.62   0.013% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.18, residual support = 32.5:
      O   HA    VAL   70 - HN    LEU   71   2.29 +/- 0.03  99.790% * 99.5202% (1.00  10.0   5.18  32.52) = 100.000%  kept
          HB2   SER   37 - HN    LEU   71   7.52 +/- 0.64   0.094% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   8.38 +/- 0.70   0.048% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71   9.78 +/- 0.27   0.017% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   9.33 +/- 1.69   0.048% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  13.15 +/- 0.43   0.003% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  18.24 +/- 1.51   0.000% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  23.75 +/- 0.83   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  22.97 +/- 0.95   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.29, residual support = 4.41:
          HA    VAL   41 - HN    LEU   71   3.88 +/- 0.25  99.829% * 98.7884% (1.00   2.29   4.41) =  99.999%  kept
          HA    HIS  122 - HN    LEU   71  13.07 +/- 4.34   0.133% *  0.7222% (0.84   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    LEU   71  14.47 +/- 0.38   0.039% *  0.4895% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 3.1, residual support = 5.6:
          HN    VAL   42 - HN    LEU   71   3.94 +/- 0.36  94.414% * 84.3258% (0.61   3.12   5.64) =  99.218%  kept
          HN    LEU   73 - HN    LEU   71   6.76 +/- 0.20   4.154% * 14.8020% (0.61   0.55   0.02) =   0.766%  kept
          HN    ILE   19 - HN    LEU   71   8.35 +/- 0.68   1.432% *  0.8723% (0.98   0.02   0.02) =   0.016%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.44, residual support = 89.6:
          QD    PHE   72 - HN    PHE   72   2.72 +/- 0.40  99.937% * 98.8860% (0.45   5.44  89.61) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72  10.82 +/- 0.51   0.035% *  0.5891% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.08 +/- 0.54   0.028% *  0.5248% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.13, residual support = 89.6:
      O   HA    PHE   72 - HN    PHE   72   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.13  89.61) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (4.65, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 19.5:
      O   HA    LEU   71 - HN    PHE   72   2.19 +/- 0.02  99.901% * 99.9402% (1.00  10.0   5.28  19.54) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.46 +/- 0.56   0.073% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.87 +/- 0.73   0.026% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.454, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    PHE   72  12.14 +/- 0.44  65.006% *  7.2068% (0.18   0.02   0.02) =  39.420%  kept
          HA    THR   23 - HN    PHE   72  15.72 +/- 0.72  14.040% * 29.8815% (0.73   0.02   0.02) =  35.300%  kept
          HB    THR   23 - HN    PHE   72  16.13 +/- 0.94  12.319% *  9.1616% (0.22   0.02   0.02) =   9.497%  kept
          HA    ASP-  78 - HN    PHE   72  20.78 +/- 0.28   2.585% * 39.7133% (0.97   0.02   0.02) =   8.638%  kept
          HA    LEU   80 - HN    PHE   72  18.09 +/- 0.52   6.050% * 14.0368% (0.34   0.02   0.02) =   7.145%  kept
    Distance limit 4.32 A violated in 20 structures by 6.96 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 0.02, residual support = 0.156:
          QE    PHE   60 - HN    LEU   73   6.30 +/- 1.51  85.362% * 15.3170% (0.49   0.02   0.18) =  78.929%  kept
          HZ2   TRP   87 - HN    LEU   73  10.84 +/- 0.76   5.108% * 31.1892% (0.99   0.02   0.02) =   9.618%  kept
          HD21  ASN   28 - HN    LEU   73  11.44 +/- 0.88   3.785% * 30.8446% (0.98   0.02   0.13) =   7.048%  kept
          HN    LEU   63 - HN    LEU   73  10.81 +/- 0.65   5.332% * 12.9368% (0.41   0.02   0.02) =   4.164%  kept
          HN    ILE   56 - HN    LEU   73  16.10 +/- 1.03   0.413% *  9.7124% (0.31   0.02   0.02) =   0.242%
    Distance limit 4.44 A violated in 16 structures by 1.69 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.41, residual support = 169.8:
      O   HA    LEU   73 - HN    LEU   73   2.94 +/- 0.00 100.000% *100.0000% (0.95  10.0   6.41 169.82) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.16, residual support = 40.1:
      O   HA    PHE   72 - HN    LEU   73   2.21 +/- 0.02 100.000% *100.0000% (0.53  10.0   5.16  40.11) = 100.000%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.533, support = 3.78, residual support = 8.58:
          HA    VAL   43 - HN    LEU   73   3.38 +/- 0.62  93.683% * 69.9321% (0.53   3.84   8.77) =  97.826%  kept
          HA    LEU   71 - HN    LEU   73   5.88 +/- 0.14   4.906% * 29.6451% (0.84   1.03   0.02) =   2.172%  kept
          HA    ALA   20 - HN    LEU   73   7.45 +/- 0.47   1.191% *  0.0936% (0.14   0.02   0.02) =   0.002%
          HA    HIS   22 - HN    LEU   73  10.92 +/- 1.16   0.140% *  0.1369% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    LEU   73  11.60 +/- 0.32   0.079% *  0.1923% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.69, residual support = 10.0:
        T HN    CYS   21 - HN    LYS+  74   2.66 +/- 0.48  99.986% * 95.8247% (0.12 10.00   3.69  10.02) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  18.41 +/- 0.81   0.001% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  14.69 +/- 0.44   0.005% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  15.86 +/- 0.61   0.004% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.59 +/- 0.54   0.003% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.568, support = 3.42, residual support = 15.9:
        T HN    ILE   19 - HN    LYS+  74   4.57 +/- 0.78  48.576% * 72.8653% (0.54 10.00   2.31   6.31) =  72.270%  kept
          HN    LEU   73 - HN    LYS+  74   4.47 +/- 0.04  50.240% * 27.0304% (0.64  1.00   6.32  40.88) =  27.728%  kept
          HN    VAL   42 - HN    LYS+  74   8.42 +/- 0.36   1.169% *  0.0855% (0.64  1.00   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HN    LYS+  74  17.27 +/- 0.46   0.015% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.66, residual support = 40.9:
      O   HA    LEU   73 - HN    LYS+  74   2.32 +/- 0.10 100.000% *100.0000% (0.68  10.0   5.66  40.88) = 100.000%  kept
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.11, residual support = 187.6:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.01  99.923% * 99.4309% (0.20  10.0   6.11 187.60) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.99 +/- 0.41   0.066% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  13.88 +/- 0.43   0.009% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  19.65 +/- 1.70   0.001% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.684, support = 3.73, residual support = 8.19:
          HA    ALA   20 - HN    LYS+  74   3.55 +/- 0.31  99.547% * 99.7085% (0.68   3.73   8.19) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.88 +/- 0.21   0.453% *  0.2915% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 5.88, residual support = 30.9:
      O   HA    LYS+  74 - HN    VAL   75   2.21 +/- 0.03  99.986% * 99.7992% (0.61  10.0   5.88  30.93) = 100.000%  kept
          HA    MET   92 - HN    VAL   75   9.76 +/- 0.43   0.014% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.78 +/- 1.23   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.75, residual support = 36.4:
      O   HA    ASP-  76 - HN    ASP-  76   2.87 +/- 0.04  99.999% * 99.5538% (0.22  10.0   3.75  36.39) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  19.91 +/- 1.37   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 15.3:
      O   HA    VAL  107 - HN    VAL  108   2.20 +/- 0.01  99.886% * 99.5919% (0.65  10.0   3.97  15.34) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.45 +/- 1.04   0.097% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  10.01 +/- 0.85   0.013% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  12.92 +/- 1.73   0.003% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  19.70 +/- 0.45   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.46, residual support = 28.6:
        T HN    ASP-  78 - HN    THR   77   2.77 +/- 0.07  98.933% * 99.9203% (0.98 10.00   5.46  28.62) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.94 +/- 0.23   1.066% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  18.78 +/- 1.12   0.001% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.46, residual support = 28.6:
        T HN    THR   77 - HN    ASP-  78   2.77 +/- 0.07 100.000% *100.0000% (1.00 10.00   5.46  28.62) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.67, residual support = 14.5:
        T HN    GLU-  79 - HN    ASP-  78   2.47 +/- 0.14  99.979% * 99.9158% (0.99 10.00   3.67  14.49) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.28 +/- 0.66   0.021% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.67, residual support = 14.5:
        T HN    ASP-  78 - HN    GLU-  79   2.47 +/- 0.14  99.915% * 99.9001% (0.56 10.00   3.67  14.49) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.06 +/- 0.32   0.085% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.604, support = 4.21, residual support = 53.4:
      O   HA    GLU-  79 - HN    GLU-  79   2.86 +/- 0.04  97.936% * 99.4285% (0.60  10.0   4.21  53.40) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.55 +/- 0.30   2.019% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.99 +/- 0.26   0.019% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.14 +/- 0.32   0.017% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  14.93 +/- 0.85   0.005% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  16.87 +/- 1.45   0.003% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  21.57 +/- 0.51   0.001% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.27 +/- 0.50   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  32.07 +/- 3.29   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0825, support = 3.73, residual support = 14.5:
      O   HA    ASP-  78 - HN    GLU-  79   3.55 +/- 0.07  99.067% * 98.7485% (0.08  10.0   3.73  14.49) =  99.993%  kept
          HA    PHE   45 - HN    GLU-  79   7.78 +/- 0.34   0.928% *  0.7232% (0.60   1.0   0.02   0.02) =   0.007%
          HA    VAL   41 - HN    GLU-  79  18.86 +/- 0.41   0.004% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  27.08 +/- 0.89   0.001% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.7:
      O   HA    ASP-  76 - HN    THR   77   2.27 +/- 0.01 100.000% * 99.8354% (0.53  10.0   4.53  11.71) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  21.34 +/- 1.33   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 1.22, residual support = 3.83:
          HA    ALA   47 - HN    THR   77   3.53 +/- 0.44  98.311% * 88.9822% (0.57   1.22   3.84) =  99.955%  kept
          HA    CYSS  50 - HN    THR   77   7.87 +/- 0.42   1.098% *  2.5180% (0.98   0.02   0.02) =   0.032%
          HA    TRP   49 - HN    THR   77   9.98 +/- 0.53   0.383% *  2.2283% (0.87   0.02   0.02) =   0.010%
          HA    CYS   21 - HN    THR   77  11.17 +/- 0.61   0.116% *  1.7646% (0.69   0.02   0.02) =   0.002%
          HA    VAL  108 - HN    THR   77  12.42 +/- 1.03   0.067% *  1.1517% (0.45   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    THR   77  14.91 +/- 1.28   0.022% *  2.4791% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    THR   77  22.28 +/- 0.73   0.002% *  0.8762% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.252, support = 1.22, residual support = 11.9:
          HA    THR   46 - HN    THR   77   4.79 +/- 0.49  88.733% * 80.8935% (0.25   1.22  12.02) =  99.432%  kept
          HA    GLN   90 - HN    THR   77   8.28 +/- 1.77  10.884% *  3.6404% (0.69   0.02   0.02) =   0.549%  kept
          HA    ALA  110 - HN    THR   77  14.30 +/- 1.86   0.174% *  3.0004% (0.57   0.02   0.02) =   0.007%
          HA    VAL   42 - HN    THR   77  14.77 +/- 0.33   0.111% *  4.5971% (0.87   0.02   0.02) =   0.007%
          HA    PHE   55 - HN    THR   77  16.31 +/- 0.68   0.063% *  4.5971% (0.87   0.02   0.02) =   0.004%
          HA    GLN   17 - HN    THR   77  18.55 +/- 0.76   0.031% *  1.6357% (0.31   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   77  26.90 +/- 0.56   0.003% *  1.6357% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 4 structures by 0.46 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.01, residual support = 37.7:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.02  98.008% * 99.1602% (0.76  10.0   4.01  37.68) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   7.04 +/- 0.15   1.450% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   8.93 +/- 0.39   0.357% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.24 +/- 0.53   0.091% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.90 +/- 0.53   0.025% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  11.99 +/- 0.49   0.061% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  19.22 +/- 0.58   0.004% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  24.14 +/- 1.02   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.08 +/- 0.53   0.002% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  29.80 +/- 1.71   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.70 +/- 0.38   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  32.23 +/- 2.81   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 5.14, residual support = 31.1:
        T HN    LEU   80 - HN    LYS+  81   3.62 +/- 0.22  96.895% * 98.5772% (0.65 10.00   5.14  31.06) =  99.998%  kept
          HN    SER   85 - HN    LYS+  81   6.49 +/- 0.12   3.085% *  0.0683% (0.45  1.00   0.02   0.02) =   0.002%
        T HN    ALA   34 - HN    LYS+  81  20.80 +/- 0.66   0.003% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  18.19 +/- 0.77   0.006% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
          HN    CYSS  53 - HN    LYS+  81  16.67 +/- 0.81   0.011% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 11.9:
        T HN    SER   82 - HN    LYS+  81   2.61 +/- 0.11  99.977% * 99.8569% (1.00 10.00   3.75  11.89) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  11.09 +/- 0.92   0.023% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  25.28 +/- 0.77   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  22.18 +/- 0.91   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  26.85 +/- 1.33   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.15, residual support = 31.1:
      O   HA    LEU   80 - HN    LYS+  81   2.57 +/- 0.11  98.257% * 99.6041% (0.69  10.0   5.15  31.06) =  99.998%  kept
          HA    ASP-  78 - HN    LYS+  81   5.33 +/- 0.53   1.534% *  0.1372% (0.95   1.0   0.02   1.02) =   0.002%
          HA    THR   23 - HN    LYS+  81   7.64 +/- 0.67   0.171% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   9.77 +/- 0.78   0.038% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  23.07 +/- 0.54   0.000% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.31, residual support = 100.7:
      O   HA    LYS+  81 - HN    LYS+  81   2.81 +/- 0.04  99.991% * 99.7055% (0.99  10.0   5.31 100.71) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.82 +/- 0.78   0.008% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  20.47 +/- 1.10   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  26.70 +/- 0.74   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  22.95 +/- 1.13   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  34.10 +/- 1.78   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.93, residual support = 33.4:
      O   HA    SER   82 - HN    SER   82   2.81 +/- 0.03  99.973% * 98.7108% (0.25  10.0   3.93  33.44) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  11.85 +/- 0.90   0.020% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  14.75 +/- 0.86   0.005% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    SER   82  19.13 +/- 0.83   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  19.52 +/- 0.81   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  25.93 +/- 1.03   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.203, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82  10.66 +/- 0.95  98.865% * 32.4951% (0.20   0.02   0.02) =  97.671%  kept
          HA    ASP- 105 - HN    SER   82  22.94 +/- 0.61   1.135% * 67.5049% (0.41   0.02   0.02) =   2.329%  kept
    Distance limit 4.21 A violated in 20 structures by 6.44 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 20.2:
        T HN    VAL   83 - HN    SER   82   2.59 +/- 0.10  99.998% * 99.9274% (1.00 10.00   5.62  20.17) = 100.000%  kept
          HN    CYSS  50 - HN    SER   82  15.69 +/- 0.82   0.002% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 11.9:
          HN    LYS+  81 - HN    SER   82   2.61 +/- 0.11  99.989% * 99.2018% (1.00   3.75  11.89) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  12.69 +/- 1.05   0.009% *  0.1179% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  18.13 +/- 1.01   0.001% *  0.4241% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.07 +/- 0.93   0.000% *  0.0928% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.59 +/- 1.20   0.000% *  0.1635% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.59, residual support = 43.0:
        T HN    ALA   84 - HN    VAL   83   2.70 +/- 0.04  99.998% * 99.6823% (0.75 10.00   7.59  43.04) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  18.34 +/- 2.15   0.001% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.62 +/- 0.86   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.93 +/- 0.88   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  23.55 +/- 0.89   0.000% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 20.2:
        T HN    SER   82 - HN    VAL   83   2.59 +/- 0.10  99.968% * 99.8569% (0.75 10.00   5.62  20.17) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.47 +/- 0.85   0.031% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  19.11 +/- 1.13   0.001% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  24.81 +/- 1.22   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  26.36 +/- 0.94   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.74 +/- 0.07  99.973% * 99.8725% (0.99 10.00   3.77  20.74) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.16 +/- 0.77   0.024% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  16.42 +/- 0.75   0.002% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  18.78 +/- 0.60   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.59, residual support = 43.0:
        T HN    VAL   83 - HN    ALA   84   2.70 +/- 0.04  99.996% * 99.9274% (1.00 10.00   7.59  43.04) = 100.000%  kept
          HN    CYSS  50 - HN    ALA   84  14.59 +/- 0.66   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.26, residual support = 5.56:
          HA    LYS+  81 - HN    ALA   84   3.58 +/- 0.23  99.905% * 95.6990% (0.80   2.26   5.56) =  99.999%  kept
          HA    ASN   28 - HN    ALA   84  11.99 +/- 0.71   0.079% *  0.5145% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  20.43 +/- 0.94   0.003% *  1.0202% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  20.32 +/- 1.24   0.003% *  0.4739% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  19.25 +/- 2.28   0.006% *  0.1851% (0.18   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  20.74 +/- 0.53   0.003% *  0.3263% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  24.63 +/- 0.68   0.001% *  0.7261% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  31.37 +/- 1.20   0.000% *  1.0548% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.405, support = 0.0199, residual support = 0.0199:
          HA    GLU-  25 - HN    VAL   83  10.18 +/- 0.74  76.764% * 13.1508% (0.34   0.02   0.02) =  68.063%  kept
          HA    THR   26 - HN    VAL   83  13.15 +/- 0.78  16.555% * 21.2999% (0.55   0.02   0.02) =  23.774%  kept
          HA    CYSS  53 - HN    VAL   83  18.99 +/- 0.75   1.998% * 27.0775% (0.70   0.02   0.02) =   3.647%  kept
          HA    ILE   19 - HN    VAL   83  18.19 +/- 0.92   2.436% * 20.1488% (0.52   0.02   0.02) =   3.309%  kept
          HA1   GLY  101 - HN    VAL   83  19.73 +/- 2.44   1.851% *  7.3142% (0.19   0.02   0.02) =   0.913%  kept
          HA    GLU- 114 - HN    VAL   83  24.86 +/- 0.95   0.397% * 11.0089% (0.28   0.02   0.02) =   0.294%
    Distance limit 4.20 A violated in 20 structures by 5.54 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.577, support = 2.6, residual support = 5.2:
        T HN    SER   85 - HN    VAL   83   4.31 +/- 0.08  83.309% * 99.5391% (0.58 10.00   2.60   5.20) =  99.991%  kept
          HN    LEU   80 - HN    VAL   83   5.67 +/- 0.25  16.626% *  0.0444% (0.26  1.00   0.02   0.02) =   0.009%
          HN    GLN   32 - HN    VAL   83  15.75 +/- 1.00   0.038% *  0.1300% (0.75  1.00   0.02   0.02) =   0.000%
        T HN    CYSS  53 - HN    VAL   83  18.60 +/- 0.77   0.013% *  0.2281% (0.13 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  18.61 +/- 0.92   0.013% *  0.0584% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.36, residual support = 10.9:
          HN    SER   82 - HN    ALA   84   3.83 +/- 0.07  97.979% * 99.2538% (0.87   4.36  10.93) =  99.993%  kept
          HN    GLN   90 - HN    ALA   84   7.90 +/- 0.88   2.010% *  0.3602% (0.69   0.02   0.02) =   0.007%
          HN    ILE  103 - HN    ALA   84  17.94 +/- 0.96   0.010% *  0.2552% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  24.28 +/- 0.93   0.002% *  0.1308% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.53 +/- 0.10  99.996% * 97.4563% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  16.22 +/- 0.54   0.001% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  15.77 +/- 0.62   0.002% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  19.61 +/- 0.75   0.000% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  23.81 +/- 2.92   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  29.23 +/- 1.45   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.74 +/- 0.07  99.821% * 97.8189% (0.90   3.77  20.74) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.27 +/- 0.55   0.146% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  10.80 +/- 0.91   0.031% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  19.10 +/- 1.11   0.001% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  20.71 +/- 1.26   0.001% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  20.86 +/- 2.21   0.001% *  0.2816% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  23.21 +/- 0.51   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.6, residual support = 5.2:
        T HN    VAL   83 - HN    SER   85   4.31 +/- 0.08  99.959% * 99.9526% (0.87 10.00   2.60   5.20) = 100.000%  kept
          HN    CYSS  50 - HN    SER   85  15.96 +/- 0.70   0.041% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.24 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.2:
      O   HA    SER   85 - HN    SER   85   2.80 +/- 0.03  96.660% * 99.3023% (0.99  10.0   3.65  18.15) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.99 +/- 0.08   3.060% *  0.0449% (0.45   1.0   0.02  13.43) =   0.001%
          HB    THR   77 - HN    SER   85   7.93 +/- 0.68   0.228% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.34 +/- 0.29   0.039% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  13.17 +/- 0.49   0.009% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  17.10 +/- 0.68   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.26 +/- 1.17   0.001% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  24.72 +/- 0.47   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  21.27 +/- 1.61   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  35.55 +/- 3.33   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  29.18 +/- 0.89   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  33.90 +/- 2.10   0.000% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.542, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  16.59 +/- 0.51  10.533% * 23.1039% (0.98   0.02   0.02) =  29.592%  kept
          HA    ASN   28 - HN    SER   85  13.58 +/- 0.67  35.383% *  5.2476% (0.22   0.02   0.02) =  22.579%  kept
          HA    GLU-  25 - HN    SER   85  13.81 +/- 0.64  31.983% *  4.1279% (0.18   0.02   0.02) =  16.054%  kept
          HA    CYSS  53 - HN    SER   85  17.86 +/- 1.02   7.282% * 14.2963% (0.61   0.02   0.02) =  12.660%  kept
          HA1   GLY  101 - HN    SER   85  19.44 +/- 2.15   4.930% * 13.3446% (0.57   0.02   0.02) =   8.001%  kept
          HA    GLU- 114 - HN    SER   85  22.34 +/- 1.01   1.882% * 17.1158% (0.73   0.02   0.02) =   3.916%  kept
          HA    ILE   19 - HN    SER   85  20.44 +/- 0.61   3.066% *  8.0401% (0.34   0.02   0.02) =   2.998%  kept
          HA    LEU  115 - HN    SER   85  20.77 +/- 1.51   3.088% *  5.8774% (0.25   0.02   0.02) =   2.207%  kept
          HA    ALA   34 - HN    SER   85  22.20 +/- 0.49   1.853% *  8.8463% (0.38   0.02   0.02) =   1.994%  kept
    Distance limit 3.77 A violated in 20 structures by 7.62 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.53 +/- 0.10  99.991% * 99.7141% (0.99 10.00   3.33  13.43) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  12.71 +/- 0.79   0.007% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  16.29 +/- 0.84   0.002% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  18.73 +/- 0.61   0.001% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.69, residual support = 22.5:
          HN    TRP   87 - HN    ASP-  86   2.72 +/- 0.02  99.572% * 98.7385% (0.95   3.69  22.51) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   6.78 +/- 0.30   0.427% *  0.1746% (0.31   0.02  22.51) =   0.001%
          HN    GLN   17 - HN    ASP-  86  24.79 +/- 0.78   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  26.78 +/- 1.39   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.842, support = 4.02, residual support = 40.9:
      O   HA    ASP-  86 - HN    ASP-  86   2.72 +/- 0.01  81.286% * 84.6024% (0.87  10.0   4.05  41.91) =  96.385%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.01  17.138% * 15.0488% (0.15  10.0   3.27  13.43) =   3.615%  kept
          HA    TRP   87 - HN    ASP-  86   5.28 +/- 0.01   1.529% *  0.0271% (0.28   1.0   0.02  22.51) =   0.001%
          HB    THR   77 - HN    ASP-  86   9.90 +/- 0.68   0.039% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.09 +/- 0.46   0.007% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  19.18 +/- 0.83   0.001% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  28.47 +/- 0.94   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  32.96 +/- 2.18   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  34.43 +/- 3.36   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 22.5:
          HN    ASP-  86 - HN    TRP   87   2.72 +/- 0.02  99.988% * 98.4310% (1.00   3.69  22.51) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  14.69 +/- 0.46   0.004% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  14.70 +/- 0.58   0.004% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  15.56 +/- 0.79   0.003% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  20.66 +/- 3.68   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  27.45 +/- 1.43   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.847, support = 3.98, residual support = 66.8:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  77.088% * 78.1363% (0.90  10.0   4.03  70.42) =  92.368%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.60 +/- 0.02  22.909% * 21.7248% (0.25  10.0   3.39  22.51) =   7.632%  kept
          HA    LEU  104 - HN    TRP   87  16.60 +/- 0.77   0.002% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  21.64 +/- 1.40   0.001% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  27.57 +/- 0.95   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.22 +/- 1.98   0.000% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.86, residual support = 70.4:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.667% * 98.5166% (0.28  10.0   1.86  70.42) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2771% (0.73   1.0   0.02  70.42) =   0.003%
          HN    TRP   27 - HE1   TRP   87   8.70 +/- 0.53   0.083% *  0.3422% (0.90   1.0   0.02   6.06) =   0.000%
          HN    ALA   91 - HE1   TRP   87  10.80 +/- 0.47   0.022% *  0.3782% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  19.46 +/- 1.05   0.001% *  0.3682% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  18.27 +/- 0.79   0.001% *  0.1178% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 6.06:
          HZ2   TRP   27 - HE1   TRP   87   4.57 +/- 1.16  99.948% * 99.7535% (0.80   2.00   6.06) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   87  17.93 +/- 1.23   0.052% *  0.2465% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 6 structures by 0.71 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.285, support = 2.94, residual support = 5.08:
      O   HA    TRP   87 - HN    ALA   88   3.23 +/- 0.07  27.530% * 95.2913% (0.28  10.0   2.98   5.15) =  98.695%  kept
          HA    ASP-  86 - HN    ALA   88   3.91 +/- 0.14   8.887% *  3.5255% (0.87   1.0   0.24   0.02) =   1.179%  kept
          HA    SER   85 - HN    ALA   88   2.80 +/- 0.10  63.547% *  0.0529% (0.15   1.0   0.02   0.02) =   0.126%
          HB    THR   77 - HN    ALA   88  10.45 +/- 0.85   0.027% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  12.53 +/- 0.47   0.008% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  17.04 +/- 0.84   0.001% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  29.58 +/- 0.96   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  34.28 +/- 1.95   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  35.82 +/- 3.10   0.000% *  0.0763% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.604, support = 0.86, residual support = 17.2:
          HA    TRP   87 - HN    ILE   89   4.41 +/- 0.21  85.955% * 76.3018% (0.61   0.88  17.88) =  96.407%  kept
          HA    ASP-  86 - HN    ILE   89   6.10 +/- 0.42  14.002% * 17.4506% (0.53   0.23   0.02) =   3.592%  kept
          HA    LEU  104 - HN    ILE   89  16.61 +/- 0.74   0.032% *  2.6943% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  20.17 +/- 1.19   0.010% *  0.4395% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  28.43 +/- 1.03   0.001% *  1.7275% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  33.45 +/- 1.82   0.000% *  1.3864% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.13 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.5:
          HN    ALA   91 - HN    GLN   90   2.18 +/- 0.37  99.981% * 99.1370% (0.92   6.75  32.54) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.31 +/- 0.17   0.017% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  16.94 +/- 1.25   0.001% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  19.03 +/- 1.36   0.000% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  24.78 +/- 1.39   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.353, support = 5.43, residual support = 88.3:
      O   HA    GLN   90 - HN    GLN   90   2.79 +/- 0.21  95.084% * 68.5366% (0.34  10.0   5.47  89.59) =  97.734%  kept
          HA    ALA   91 - HN    GLN   90   4.69 +/- 0.28   4.872% * 31.0097% (0.87   1.0   3.56  32.54) =   2.266%  kept
          HA    VAL  107 - HN    GLN   90  11.52 +/- 0.45   0.022% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    GLN   90  12.36 +/- 1.32   0.018% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  16.37 +/- 1.24   0.002% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  18.03 +/- 1.45   0.002% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 89.6:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  89.59) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  28.16 +/- 2.60   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  30.46 +/- 1.92   0.000% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 89.6:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.960% * 99.4024% (0.76  10.0   1.00  89.59) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.28 +/- 1.43   0.039% *  0.0646% (0.25   1.0   0.02   6.57) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  14.98 +/- 2.15   0.000% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  22.14 +/- 2.84   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  21.26 +/- 2.07   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  18.37 +/- 1.10   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  26.33 +/- 1.54   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  24.69 +/- 3.19   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  28.16 +/- 2.60   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  30.77 +/- 1.50   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  30.38 +/- 1.96   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  34.19 +/- 2.15   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.5:
        T HN    GLN   90 - HN    ALA   91   2.18 +/- 0.37  99.756% * 99.6698% (0.95 10.00   6.75  32.54) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91   6.83 +/- 0.90   0.224% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  16.94 +/- 1.25   0.001% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.25 +/- 0.56   0.007% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  17.47 +/- 0.76   0.001% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  11.59 +/- 0.88   0.010% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.93 +/- 0.85   0.000% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.10 +/- 0.86   0.000% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.126, support = 0.02, residual support = 10.8:
          HA    LEU   73 - HN    TRP   27   8.12 +/- 0.58  98.925% * 10.9973% (0.08   0.02  11.80) =  91.918%  kept
          HA    LEU   73 - HN    ALA   91  17.42 +/- 0.55   1.075% * 89.0027% (0.65   0.02   0.02) =   8.082%  kept
    Distance limit 4.31 A violated in 20 structures by 3.80 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.875, support = 2.78, residual support = 24.8:
      O   HA    ALA   91 - HN    ALA   91   2.93 +/- 0.02  42.032% * 89.2967% (1.00  10.0   2.46  12.93) =  86.103%  kept
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.03  57.912% * 10.4606% (0.12  10.0   4.78  98.18) =  13.897%  kept
          HA    VAL  107 - HN    ALA   91  10.70 +/- 0.53   0.019% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  10.70 +/- 1.46   0.025% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.51 +/- 1.91   0.010% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.45 +/- 0.66   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.44 +/- 0.96   0.001% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.28 +/- 0.46   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  23.91 +/- 0.72   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.04 +/- 1.55   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 62.0:
      O   HA    MET   92 - HN    MET   92   2.91 +/- 0.02  99.895% * 99.1845% (0.25  10.0   4.21  61.98) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   9.25 +/- 0.51   0.103% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  20.24 +/- 0.40   0.001% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  22.41 +/- 1.34   0.001% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.88, residual support = 8.94:
      O   HA    ALA   91 - HN    MET   92   2.24 +/- 0.07  99.895% * 99.6892% (0.80  10.0   2.88   8.94) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   8.46 +/- 2.01   0.086% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  11.01 +/- 0.46   0.008% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.18 +/- 1.43   0.010% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  18.30 +/- 0.74   0.000% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 27.1:
        T HN    PHE   45 - HN    THR   94   3.48 +/- 0.37  97.421% * 99.8946% (0.95 10.00   3.30  27.08) =  99.997%  kept
          HN    ALA  110 - HN    THR   94   6.89 +/- 1.56   2.579% *  0.1054% (1.00  1.00   0.02   0.02) =   0.003%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.51 +/- 0.53 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.24 A violated in 20 structures by 4.27 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 5.1, residual support = 17.6:
      O   HA    PRO   93 - HN    THR   94   2.29 +/- 0.04  99.959% * 99.9112% (0.22  10.0   5.10  17.57) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   8.51 +/- 0.47   0.041% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.32, residual support = 1.32:
          HA    MET   92 - HN    THR   94   2.97 +/- 0.14  99.820% * 98.7589% (1.00   1.32   1.32) =  99.998%  kept
          HA    LYS+  74 - HN    THR   94   8.68 +/- 0.50   0.178% *  0.9078% (0.61   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    THR   94  17.86 +/- 1.08   0.002% *  0.3332% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 45.7:
          HN    VAL  107 - HN    PHE   95   2.83 +/- 0.38  99.992% * 99.0525% (0.97   2.00  45.74) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  14.33 +/- 0.68   0.008% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.20 +/- 0.38  99.840% * 99.3378% (0.87   3.86  73.51) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  10.99 +/- 0.46   0.076% *  0.5144% (0.87   0.02   0.02) =   0.000%
          QE    PHE   72 - HN    PHE   95  10.84 +/- 1.20   0.084% *  0.1479% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.33  73.51) = 100.000%  kept
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.3:
      O   HA    THR   94 - HN    PHE   95   2.17 +/- 0.03  99.769% * 99.8515% (0.65  10.0   3.16  14.33) = 100.000%  kept
          HA    MET   92 - HN    PHE   95   6.00 +/- 0.11   0.222% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  74 - HN    PHE   95  10.26 +/- 0.39   0.009% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.0, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.23 +/- 0.04 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.6:
      O   HA    MET   96 - HN    MET   96   2.92 +/- 0.01  99.722% * 99.9800% (0.94  10.0   4.09 115.58) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.87 +/- 0.50   0.278% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.03, residual support = 52.4:
        T HN    ASP- 105 - HN    PHE   97   3.67 +/- 0.45  99.886% * 99.9802% (1.00 10.00   4.03  52.39) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  12.52 +/- 0.76   0.114% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.06 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.11, residual support = 62.7:
          QD    PHE   97 - HN    PHE   97   2.97 +/- 0.55  99.833% * 98.9960% (0.80   4.11  62.72) =  99.999%  kept
          HZ3   TRP   87 - HN    PHE   97   9.80 +/- 1.06   0.166% *  0.5221% (0.87   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    PHE   97  22.83 +/- 1.27   0.001% *  0.4819% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.47, residual support = 8.77:
          HA    LYS+ 106 - HN    PHE   97   3.74 +/- 0.40 100.000% *100.0000% (0.98   2.47   8.77) = 100.000%  kept
    Distance limit 4.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 46.6:
      O   HA    MET   96 - HN    PHE   97   2.25 +/- 0.06  99.985% * 99.9800% (0.99  10.0   6.07  46.63) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.80 +/- 0.61   0.015% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.06, residual support = 28.8:
        T HN    VAL   41 - HN    LEU   98   3.37 +/- 0.41 100.000% *100.0000% (0.69 10.00   5.06  28.82) = 100.000%  kept
    Distance limit 3.86 A violated in 1 structures by 0.06 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 81.9:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.80  10.0   5.21  81.94) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 521 (5.36, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.45, residual support = 11.0:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.02 100.000% *100.0000% (0.98  10.0   3.45  10.96) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.469, support = 1.36, residual support = 3.19:
          HA    VAL   42 - HN    LEU   98   3.53 +/- 0.49  89.064% * 23.5164% (0.45   0.96   0.71) =  73.096%  kept
          HA    LEU   40 - HN    LEU   98   5.13 +/- 0.45  10.864% * 70.9505% (0.53   2.47   9.92) =  26.902%  kept
          HA    SER   37 - HN    LEU   98  14.32 +/- 0.45   0.024% *  1.0552% (0.97   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LEU   98  16.22 +/- 0.35   0.012% *  1.0837% (0.99   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   98  16.11 +/- 0.95   0.012% *  1.0552% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  15.60 +/- 0.78   0.016% *  0.7940% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  18.76 +/- 1.08   0.006% *  0.7511% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  20.69 +/- 1.83   0.003% *  0.7940% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.941, support = 0.901, residual support = 1.8:
          HN    LYS+ 102 - HN    LYS+  99   2.68 +/- 0.76  98.499% * 68.6248% (0.95   0.91   1.81) =  99.507%  kept
          HN    ASP- 105 - HN    LYS+  99   6.66 +/- 0.32   1.170% * 28.5457% (0.18   2.03   0.02) =   0.492%
          HN    THR   39 - HN    LYS+  99   9.88 +/- 0.40   0.094% *  0.6016% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  12.66 +/- 0.66   0.021% *  1.2836% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLN   30   9.36 +/- 0.24   0.144% *  0.0843% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  14.85 +/- 0.65   0.008% *  0.6590% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.67 +/- 0.38   0.038% *  0.0395% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  13.00 +/- 0.69   0.020% *  0.0433% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  15.85 +/- 1.65   0.003% *  0.0996% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  17.86 +/- 0.63   0.003% *  0.0184% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.10 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.27, residual support = 17.8:
      O   HA    LEU   98 - HN    LYS+  99   2.29 +/- 0.05  99.998% * 99.9934% (0.99  10.0   4.27  17.77) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.35 +/- 0.62   0.002% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.2, residual support = 173.7:
      O   HA    LYS+  99 - HN    LYS+  99   2.93 +/- 0.02  99.840% * 99.5300% (0.80  10.0   5.20 173.68) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   9.65 +/- 0.73   0.087% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  17.07 +/- 4.33   0.004% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.77 +/- 0.15   0.040% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  13.60 +/- 0.91   0.011% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  18.84 +/- 1.85   0.002% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.67 +/- 0.90   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.79 +/- 0.62   0.009% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.68 +/- 2.52   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  15.39 +/- 0.56   0.005% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.24 +/- 1.07   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.55 +/- 1.48   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.19 +/- 2.33   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  29.08 +/- 1.85   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.01 +/- 0.42  96.344% * 99.9864% (1.00 10.00   3.61  14.95) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   5.62 +/- 0.89   3.656% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.83, residual support = 40.1:
      O   HA    LYS+  99 - HN    GLU- 100   2.18 +/- 0.01  86.726% * 99.5956% (0.99  10.0   6.83  40.11) =  99.997%  kept
          HA    LEU   40 - HN    GLU- 100   3.48 +/- 0.86  12.975% *  0.0199% (0.20   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    GLU- 100   6.00 +/- 0.72   0.298% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  18.34 +/- 4.86   0.000% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.65 +/- 1.87   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.92 +/- 2.49   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.83 +/- 1.13   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.62 +/- 0.72  99.774% * 98.8218% (0.95   3.13  12.50) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   8.84 +/- 1.00   0.100% *  0.2509% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101  10.61 +/- 1.07   0.039% *  0.5353% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.83 +/- 0.45   0.081% *  0.1171% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  15.44 +/- 0.68   0.005% *  0.2748% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.905, residual support = 1.81:
          HN    LYS+  99 - HN    LYS+ 102   2.68 +/- 0.76  99.914% * 94.9022% (0.98   0.91   1.81) =  99.999%  kept
          HE1   HIS  122 - HN    LYS+ 102  13.78 +/- 6.52   0.057% *  2.0238% (0.95   0.02   0.02) =   0.001%
          HN    ASN   35 - HN    LYS+ 102  11.36 +/- 1.61   0.023% *  0.3301% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  15.85 +/- 1.65   0.003% *  0.5335% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  22.77 +/- 2.15   0.001% *  1.7870% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  18.11 +/- 1.19   0.002% *  0.4234% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.62 +/- 0.72  99.942% * 99.9864% (1.00 10.00   3.13  12.50) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.56 +/- 1.24   0.058% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.01 +/- 0.42 100.000% *100.0000% (0.80 10.00   3.61  14.95) = 100.000%  kept
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.985, support = 1.42, residual support = 1.4:
          HA    LYS+  99 - HN    GLY  101   3.79 +/- 0.55  87.766% * 89.0336% (0.99   1.43   1.41) =  99.185%  kept
          HA    LEU   40 - HN    GLY  101   5.74 +/- 1.12  10.011% *  6.1578% (0.20   0.50   0.02) =   0.782%  kept
          HA    ASN   35 - HN    GLY  101   7.35 +/- 1.00   2.211% *  1.1602% (0.92   0.02   0.02) =   0.033%
          HA    LEU  123 - HN    GLY  101  19.77 +/- 4.53   0.007% *  1.0063% (0.80   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  24.81 +/- 1.02   0.001% *  1.1271% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  25.32 +/- 2.67   0.001% *  1.1271% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  21.54 +/- 2.06   0.003% *  0.3879% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.50 +/- 0.20  99.945% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   9.19 +/- 1.10   0.046% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  12.49 +/- 1.04   0.007% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.85 +/- 1.05   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.90 +/- 2.14   0.000% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.09 +/- 1.46   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  20.52 +/- 5.09   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.23 +/- 1.63   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.58, residual support = 36.6:
          HN    LEU  104 - HN    ILE  103   4.60 +/- 0.07  99.955% * 99.3915% (0.49   6.58  36.59) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.69 +/- 0.44   0.045% *  0.6085% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.25 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 22.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.30 +/- 0.11  99.999% * 99.7796% (0.97  10.0   5.96  22.39) = 100.000%  kept
          HA1   GLY  109 - HN    ILE  103  18.84 +/- 0.50   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ILE  103  21.23 +/- 0.88   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.70 +/- 0.68   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYSS  50 - HN    ILE  103  24.74 +/- 0.58   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  29.25 +/- 0.72   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 6.99, residual support = 138.2:
      O   HA    ILE  103 - HN    ILE  103   2.80 +/- 0.07  99.977% * 99.2916% (0.98  10.0   6.99 138.17) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.71 +/- 0.59   0.008% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  14.33 +/- 0.72   0.006% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  16.66 +/- 0.94   0.002% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  14.66 +/- 1.26   0.006% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  21.19 +/- 1.04   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  24.61 +/- 0.87   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  23.22 +/- 1.24   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.09 +/- 0.70   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  30.79 +/- 2.84   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.03 +/- 1.11   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  29.77 +/- 2.29   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 6.64, residual support = 41.4:
        T HN    ASP- 105 - HN    LEU  104   2.48 +/- 0.25  99.997% * 99.9802% (1.00 10.00   6.64  41.44) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  14.82 +/- 0.75   0.003% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.65, residual support = 5.96:
          HA    LEU   98 - HN    LEU  104   3.14 +/- 0.30 100.000% *100.0000% (0.80   2.65   5.96) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.01, residual support = 36.6:
      O   HA    ILE  103 - HN    LEU  104   2.28 +/- 0.10  99.987% * 99.2645% (0.95  10.0   6.01  36.59) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.59 +/- 0.52   0.007% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  12.31 +/- 0.56   0.004% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  17.31 +/- 0.71   0.001% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  16.34 +/- 0.95   0.001% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.00 +/- 0.76   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.40 +/- 1.34   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  23.98 +/- 0.50   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.85 +/- 1.09   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.61 +/- 2.70   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.33 +/- 0.70   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.19 +/- 2.13   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 52.4:
        T HN    PHE   97 - HN    ASP- 105   3.67 +/- 0.45  99.883% * 99.7623% (0.73 10.00   4.03  52.39) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.45 +/- 1.22   0.099% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  16.10 +/- 0.52   0.018% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  28.44 +/- 2.15   0.001% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 1 structures by 0.12 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.64, residual support = 41.4:
        T HN    LEU  104 - HN    ASP- 105   2.48 +/- 0.25  99.996% * 99.9822% (0.87 10.00   6.64  41.44) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.90 +/- 0.55   0.004% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 136.2:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.89 +/- 0.02 100.000% *100.0000% (0.95  10.0   5.18 136.19) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 23.1:
      O   HA    ASP- 105 - HN    LYS+ 106   2.46 +/- 0.05  99.999% * 99.6913% (0.92  10.0   3.49  23.13) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  21.01 +/- 0.71   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  24.67 +/- 0.57   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.07 +/- 0.58   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.22 +/- 0.62   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.43, residual support = 43.4:
      O   HA    ASP- 105 - HN    ASP- 105   2.90 +/- 0.02  99.998% * 99.6913% (0.92  10.0   4.43  43.37) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  21.23 +/- 0.71   0.001% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  23.70 +/- 0.72   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.47 +/- 0.69   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  23.56 +/- 0.54   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.363, support = 6.13, residual support = 38.7:
      O   HA    LEU  104 - HN    ASP- 105   3.62 +/- 0.03  79.335% * 76.3331% (0.34  10.0   6.36  41.44) =  92.993%  kept
          HA    ILE  103 - HN    ASP- 105   4.60 +/- 0.36  20.489% * 22.2686% (0.65   1.0   3.08   2.39) =   7.006%  kept
          HA    ASP-  44 - HN    ASP- 105  10.80 +/- 0.55   0.120% *  0.1869% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.09 +/- 0.53   0.036% *  0.0498% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  17.45 +/- 0.91   0.007% *  0.1792% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  17.80 +/- 0.68   0.006% *  0.1710% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  19.62 +/- 0.67   0.003% *  0.1710% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.80 +/- 1.05   0.001% *  0.1625% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.47 +/- 2.04   0.000% *  0.1869% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  24.08 +/- 0.49   0.001% *  0.0622% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  30.12 +/- 2.58   0.000% *  0.1941% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  23.86 +/- 0.76   0.001% *  0.0345% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 2.48:
          QD    PHE   97 - HN    VAL  107   4.99 +/- 0.89  99.440% * 98.5222% (0.87   1.50   2.48) =  99.994%  kept
          HZ3   TRP   87 - HN    VAL  107  13.53 +/- 0.78   0.473% *  1.2126% (0.80   0.02   0.02) =   0.006%
          HE3   TRP   49 - HN    VAL  107  18.70 +/- 1.29   0.087% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 7 structures by 0.76 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.8:
      O   HA    LYS+ 106 - HN    VAL  107   2.22 +/- 0.04 100.000% *100.0000% (0.98  10.0   4.58  26.78) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 58.2:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.701% * 99.7406% (0.95  10.0   3.66  58.23) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.24 +/- 1.03   0.262% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  11.67 +/- 0.31   0.026% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  16.55 +/- 0.45   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  14.26 +/- 1.17   0.008% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 52.4:
          QD    PHE   97 - HN    ASP- 105   3.69 +/- 0.56  99.900% * 99.5897% (0.87   5.46  52.39) = 100.000%  kept
          HZ3   TRP   87 - HN    ASP- 105  12.62 +/- 1.29   0.099% *  0.3366% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    ASP- 105  25.21 +/- 1.21   0.001% *  0.0736% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   4.29 +/- 0.96  63.553% * 19.2756% (0.26   0.02   0.02) =  56.967%  kept
          HA    MET   92 - HN    GLY  109   4.74 +/- 1.05  36.379% * 25.3346% (0.34   0.02   0.02) =  42.859%  kept
          HA    LYS+  74 - HN    GLY  109  14.33 +/- 0.88   0.068% * 55.3898% (0.74   0.02   0.02) =   0.174%
    Distance limit 4.30 A violated in 2 structures by 0.22 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.477, support = 2.24, residual support = 8.2:
      O   HA    VAL  108 - HN    GLY  109   2.21 +/- 0.03  79.526% * 31.6430% (0.34  10.0   2.33   7.68) =  64.357%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.81 +/- 0.22  20.461% * 68.1141% (0.73  10.0   2.07   9.15) =  35.643%  kept
          HA    CYSS  50 - HN    GLY  109  10.99 +/- 1.92   0.008% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  12.20 +/- 1.53   0.004% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  15.58 +/- 1.97   0.001% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  20.79 +/- 0.78   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.55 +/- 0.47   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.12:
          HN    LYS+ 111 - HN    ALA  110   3.13 +/- 0.58  98.585% * 97.3111% (0.90   3.04   9.12) =  99.990%  kept
          HN    ILE   56 - HN    ALA  110   7.97 +/- 3.12   1.384% *  0.6990% (0.98   0.02   4.75) =   0.010%
          HN    LEU   63 - HN    ALA  110  13.79 +/- 1.40   0.019% *  0.6583% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  16.74 +/- 1.71   0.007% *  0.6395% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  18.70 +/- 1.65   0.003% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  22.00 +/- 1.79   0.001% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  29.78 +/- 2.25   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.15:
      O   HA1   GLY  109 - HN    ALA  110   3.42 +/- 0.30  59.931% * 93.8842% (0.69  10.0   2.07   6.40) =  96.063%  kept
          HA    VAL  108 - HN    ALA  110   4.00 +/- 0.99  39.923% *  5.7754% (0.80   1.0   1.06   0.02) =   3.937%  kept
          HA    CYSS  50 - HN    ALA  110  10.62 +/- 2.22   0.104% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  12.72 +/- 1.95   0.032% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  15.31 +/- 2.28   0.010% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  21.58 +/- 1.47   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.59:
      O   HA    ALA  110 - HN    ALA  110   2.35 +/- 0.20  99.435% * 98.1886% (0.18  10.0   2.74   9.59) =  99.998%  kept
          HA    VAL  107 - HN    ALA  110   6.35 +/- 0.74   0.308% *  0.5304% (0.95   1.0   0.02   0.02) =   0.002%
          HA    ALA   91 - HN    ALA  110   8.29 +/- 1.37   0.070% *  0.5594% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA  110   8.19 +/- 2.62   0.186% *  0.1912% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  20.78 +/- 1.52   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.0:
        T HN    LYS+ 112 - HN    LYS+ 111   4.39 +/- 0.12  99.876% * 99.8172% (0.99 10.00   5.34  27.98) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  14.36 +/- 0.99   0.089% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  19.19 +/- 0.97   0.015% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  18.28 +/- 0.95   0.020% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  39.93 +/- 2.63   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.38 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.12:
        T HN    ALA  110 - HN    LYS+ 111   3.13 +/- 0.58  99.943% * 99.9053% (1.00 10.00   3.04   9.12) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  11.60 +/- 1.05   0.057% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.778, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.85 +/- 1.02  40.317% * 58.2608% (1.00   0.02   0.02) =  65.659%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.06 +/- 1.32  38.397% * 19.8732% (0.34   0.02   0.02) =  21.330%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.27 +/- 1.25  21.286% * 21.8659% (0.38   0.02   0.02) =  13.010%  kept
    Distance limit 4.37 A violated in 20 structures by 5.70 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.12:
      O   HA    ALA  110 - HN    LYS+ 111   2.81 +/- 0.33  96.974% * 99.3312% (0.45  10.0   3.04   9.12) =  99.993%  kept
          HA    VAL  107 - HN    LYS+ 111   5.61 +/- 1.23   2.881% *  0.2138% (0.97   1.0   0.02   0.02) =   0.006%
          HA    ALA   91 - HN    LYS+ 111  10.69 +/- 1.05   0.053% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111   9.91 +/- 3.07   0.085% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  14.35 +/- 0.83   0.007% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  22.41 +/- 0.93   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 28.0:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.29 +/- 0.19  99.974% * 99.8075% (0.53  10.0   7.10  27.98) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.53 +/- 0.76   0.026% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  17.63 +/- 1.24   0.001% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.64, residual support = 23.1:
        T HN    GLU- 114 - HN    ASP- 113   2.61 +/- 0.16  96.663% * 99.7300% (0.81 10.00   4.64  23.14) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.70 +/- 0.31   3.157% *  0.0946% (0.76  1.00   0.02   1.50) =   0.003%
          HN    THR  118 - HN    ASP- 113   7.66 +/- 0.42   0.169% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.28 +/- 0.83   0.010% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  22.83 +/- 1.79   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.64, residual support = 23.1:
        T HN    ASP- 113 - HN    GLU- 114   2.61 +/- 0.16 100.000% *100.0000% (1.00 10.00   4.64  23.14) = 100.000%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 3.63, residual support = 43.6:
      O   HA    GLU- 114 - HN    GLU- 114   2.82 +/- 0.03  96.952% * 99.6055% (0.97  10.0   3.63  43.64) =  99.998%  kept
          HA    LEU  115 - HN    GLU- 114   5.05 +/- 0.11   3.029% *  0.0543% (0.53   1.0   0.02  15.68) =   0.002%
          HA    CYSS  53 - HN    GLU- 114  12.00 +/- 0.83   0.019% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  23.77 +/- 1.29   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.07 +/- 0.96   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.14 +/- 1.00   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.39 +/- 1.03   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.17, residual support = 4.59:
          HA    LYS+ 111 - HN    ASP- 113   3.72 +/- 0.39  98.975% * 99.1932% (0.74   2.17   4.59) =  99.997%  kept
          HA    VAL  108 - HN    ASP- 113  10.05 +/- 1.08   0.902% *  0.2628% (0.21   0.02   0.02) =   0.002%
          HA    PRO   52 - HN    ASP- 113  12.16 +/- 0.78   0.116% *  0.3595% (0.29   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ASP- 113  19.37 +/- 1.41   0.008% *  0.1846% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.4, residual support = 14.2:
      O   HA    ASP- 113 - HN    ASP- 113   2.78 +/- 0.06  99.859% * 99.6702% (0.85  10.0   3.40  14.21) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.46 +/- 1.92   0.105% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  11.09 +/- 1.19   0.032% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  16.70 +/- 0.67   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.10 +/- 1.48   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  21.31 +/- 1.24   0.001% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  29.94 +/- 1.55   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.915, support = 7.38, residual support = 81.8:
        T HN    GLN  116 - HN    LEU  115   2.72 +/- 0.10  36.759% * 85.3163% (0.99 10.00   8.00 100.68) =  77.812%  kept
          HN    GLU- 114 - HN    LEU  115   2.49 +/- 0.13  61.669% * 14.4993% (0.65  1.00   5.21  15.68) =  22.185%  kept
          HN    THR  118 - HN    LEU  115   4.63 +/- 0.25   1.550% *  0.0814% (0.95  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    LEU  115   9.63 +/- 0.81   0.022% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.45 +/- 0.96   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.60 +/- 1.37   0.000% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 8.0, residual support = 100.7:
        T HN    LEU  115 - HN    GLN  116   2.72 +/- 0.10  99.993% * 99.8619% (0.98 10.00   8.00 100.68) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.76 +/- 1.02   0.007% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  34.36 +/- 2.06   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.47, residual support = 27.2:
        T HN    SER  117 - HN    GLN  116   2.67 +/- 0.17 100.000% * 99.8966% (0.97 10.00   5.47  27.24) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  22.29 +/- 1.38   0.000% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  26.66 +/- 1.43   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 4.18, residual support = 16.7:
        T HN    GLN  116 - HN    SER  117   2.67 +/- 0.17  50.235% * 50.9371% (0.99 10.00   5.47  27.24) =  52.245%  kept
        T HN    THR  118 - HN    SER  117   2.68 +/- 0.15  48.110% * 48.6147% (0.95 10.00   2.76   5.16) =  47.753%  kept
          HN    GLU- 114 - HN    SER  117   4.72 +/- 0.22   1.646% *  0.0332% (0.65  1.00   0.02   0.17) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.35 +/- 0.56   0.009% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  19.31 +/- 1.16   0.000% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  26.80 +/- 1.21   0.000% *  0.0079% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.93, residual support = 115.2:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.995% * 99.8066% (0.95  10.0   1.93 115.16) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.69 +/- 1.30   0.004% *  0.1055% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  16.94 +/- 1.55   0.000% *  0.0575% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  25.19 +/- 2.26   0.000% *  0.0304% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 1.93, residual support = 115.2:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.808% * 99.7477% (0.90  10.0 10.00   1.93 115.16) = 100.000%  kept
          HN    ALA  120 - HE22  GLN  116   5.60 +/- 1.15   0.188% *  0.1090% (0.98   1.0  1.00   0.02   0.25) =   0.000%
          HN    ALA   57 - HE22  GLN  116  12.02 +/- 1.93   0.002% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  11.04 +/- 1.70   0.002% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  25.03 +/- 3.21   0.000% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.83 +/- 0.22  96.284% * 91.8913% (1.00   0.75   1.50) =  99.938%  kept
          HA    PHE   59 - HN    GLN  116   7.61 +/- 1.15   2.425% *  1.4896% (0.61   0.02   0.33) =   0.041%
          HA    ILE   56 - HN    GLN  116   8.44 +/- 1.18   1.180% *  1.4896% (0.61   0.02   0.02) =   0.020%
          HA    LEU  123 - HN    GLN  116  12.23 +/- 0.59   0.100% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  20.09 +/- 1.40   0.006% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  20.83 +/- 1.06   0.004% *  0.3789% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  26.90 +/- 1.10   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.01, residual support = 115.2:
      O   HA    GLN  116 - HN    GLN  116   2.78 +/- 0.06  99.996% * 99.5202% (1.00  10.0   7.01 115.16) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  19.17 +/- 1.15   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  19.15 +/- 1.37   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  21.69 +/- 1.68   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  21.51 +/- 1.49   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.54 +/- 0.95   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.40 +/- 1.14   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  28.39 +/- 1.39   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  29.22 +/- 1.03   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.953, support = 7.32, residual support = 200.8:
      O   HA    LEU  115 - HN    LEU  115   2.79 +/- 0.04  81.524% * 60.5049% (1.00  10.0   7.67 227.93) =  87.196%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.57 +/- 0.04  18.465% * 39.2280% (0.65  10.0   4.93  15.68) =  12.804%  kept
          HA    ARG+  54 - HN    LEU  115  13.22 +/- 0.95   0.008% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.61 +/- 0.57   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.88 +/- 1.66   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.37 +/- 0.82   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.68 +/- 0.92   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  21.87 +/- 1.25   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.64 +/- 0.84   0.000% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.55, residual support = 15.1:
      O   HA    SER  117 - HN    SER  117   2.77 +/- 0.04  99.990% * 99.4282% (0.38  10.0   3.55  15.09) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.28 +/- 1.17   0.010% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  28.87 +/- 1.22   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  27.26 +/- 1.25   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.55, residual support = 55.6:
        T HN    ILE  119 - HN    ALA  120   2.59 +/- 0.05  99.999% * 99.2864% (0.83 10.00   5.55  55.62) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  22.51 +/- 1.00   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  21.44 +/- 0.81   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  24.59 +/- 2.52   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.65, residual support = 49.2:
          HN    HIS  122 - HN    LYS+ 121   2.71 +/- 0.02  99.191% * 99.4476% (0.80   6.65  49.22) =  99.999%  kept
          QE    PHE   59 - HN    LYS+ 121   6.35 +/- 0.71   0.793% *  0.0746% (0.20   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    LYS+ 121  11.82 +/- 0.66   0.016% *  0.1814% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  22.41 +/- 2.15   0.000% *  0.2964% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.257, support = 5.39, residual support = 31.4:
          HN    LEU  123 - HN    HIS  122   2.09 +/- 0.08  99.895% * 99.5424% (0.26   5.39  31.41) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.56 +/- 0.08   0.105% *  0.1269% (0.09   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  23.35 +/- 2.97   0.000% *  0.1571% (0.11   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  22.05 +/- 1.58   0.000% *  0.1736% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.39, residual support = 31.4:
          HN    HIS  122 - HN    LEU  123   2.09 +/- 0.08  99.947% * 99.0572% (0.87   5.39  31.41) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   8.24 +/- 1.19   0.050% *  0.2231% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  12.80 +/- 0.80   0.002% *  0.3803% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  23.88 +/- 2.40   0.000% *  0.3395% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.12, residual support = 12.4:
      O   HA    LEU  123 - HN    ALA  124   2.29 +/- 0.01  99.995% * 99.5133% (1.00  10.0   4.12  12.40) = 100.000%  kept
          HA    LYS+  99 - HN    ALA  124  17.74 +/- 4.95   0.001% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.25 +/- 2.11   0.001% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  17.05 +/- 4.84   0.001% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.49 +/- 0.68   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.23 +/- 1.38   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  23.73 +/- 4.61   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  20.66 +/- 3.30   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  25.36 +/- 4.20   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.82, residual support = 9.25:
      O   HA    ALA  124 - HN    ALA  124   2.64 +/- 0.25  99.994% * 99.5744% (1.00  10.0   1.82   9.25) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.56 +/- 0.71   0.004% *  0.0493% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  23.15 +/- 2.80   0.000% *  0.1061% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  21.29 +/- 4.34   0.001% *  0.0339% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  26.54 +/- 4.66   0.000% *  0.0755% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  22.76 +/- 4.54   0.000% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.52 +/- 2.30   0.000% *  0.0535% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  31.83 +/- 1.98   0.000% *  0.0880% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 31.4:
      O   HA    HIS  122 - HN    LEU  123   3.41 +/- 0.03  99.984% * 99.8702% (1.00  10.0   4.26  31.41) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  16.64 +/- 3.50   0.011% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  19.89 +/- 1.25   0.003% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.37 +/- 0.75   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.95, residual support = 200.7:
      O   HA    LEU  123 - HN    LEU  123   2.83 +/- 0.04  99.959% * 99.5133% (1.00  10.0   5.95 200.72) = 100.000%  kept
          HA    ASP- 113 - HN    LEU  123  12.91 +/- 0.53   0.012% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    LEU  123  15.52 +/- 4.59   0.007% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.30 +/- 1.60   0.006% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  15.15 +/- 4.39   0.008% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.39 +/- 1.07   0.007% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  22.28 +/- 4.08   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  20.42 +/- 2.64   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  25.85 +/- 3.35   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.43, residual support = 67.4:
          HD2   HIS  122 - HN    HIS  122   3.25 +/- 0.22  99.639% * 97.1100% (0.11   6.43  67.36) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   9.00 +/- 1.36   0.359% *  0.3338% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  22.85 +/- 1.52   0.001% *  0.9593% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  25.33 +/- 1.65   0.001% *  0.7479% (0.27   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  28.69 +/- 2.99   0.000% *  0.8489% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.12, residual support = 67.4:
      O   HA    HIS  122 - HN    HIS  122   2.92 +/- 0.01  99.991% * 99.8131% (0.30  10.0   5.12  67.36) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  15.20 +/- 3.59   0.008% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.70 +/- 0.71   0.001% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.56, support = 5.61, residual support = 231.6:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  79.975% * 38.4533% (0.49  10.0   6.26 310.58) =  74.387%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.56 +/- 0.03  17.306% * 61.1842% (0.77  10.0   3.73   2.24) =  25.612%  kept
          QB    SER  117 - HN    LYS+ 121   4.92 +/- 0.35   2.711% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  15.40 +/- 1.65   0.003% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.64 +/- 0.58   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  20.62 +/- 2.09   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  20.92 +/- 2.42   0.001% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.03 +/- 2.59   0.001% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  23.71 +/- 0.67   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  24.28 +/- 1.66   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  22.80 +/- 0.93   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.27 +/- 2.74   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.739, support = 3.61, residual support = 14.4:
      O   HA    ALA  120 - HN    ALA  120   2.79 +/- 0.05  94.459% * 99.2369% (0.74  10.0   3.61  14.43) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.14 +/- 0.15   2.469% *  0.0465% (0.35   1.0   0.02   2.24) =   0.001%
          QB    SER  117 - HN    ALA  120   4.97 +/- 0.16   3.054% *  0.0168% (0.12   1.0   0.02   6.34) =   0.001%
          HA    LYS+  65 - HN    ALA  120  14.47 +/- 1.53   0.006% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  19.63 +/- 2.69   0.006% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.51 +/- 0.56   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  20.33 +/- 1.81   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.47 +/- 2.72   0.002% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.09 +/- 1.02   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  23.43 +/- 1.93   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  23.35 +/- 1.06   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.45 +/- 2.05   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.55 +/- 2.01   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.22, residual support = 12.4:
          HB2   LEU  123 - HN    ALA  124   4.06 +/- 0.35  99.198% * 96.2220% (0.76   4.22  12.40) =  99.996%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.66 +/- 0.12   0.600% *  0.4336% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  13.24 +/- 2.36   0.154% *  0.4563% (0.76   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    ALA  124  19.88 +/- 4.89   0.013% *  0.5648% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  20.12 +/- 3.78   0.011% *  0.5648% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  21.38 +/- 1.99   0.007% *  0.4781% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.87 +/- 1.34   0.005% *  0.2906% (0.49   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  24.49 +/- 2.22   0.003% *  0.2241% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.91 +/- 1.63   0.005% *  0.1182% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  22.79 +/- 1.84   0.004% *  0.1489% (0.25   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  30.35 +/- 1.60   0.001% *  0.4987% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.18 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.82, residual support = 9.25:
      O   QB    ALA  124 - HN    ALA  124   2.26 +/- 0.33  99.986% * 98.5562% (0.65  10.0   1.82   9.25) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.79 +/- 2.24   0.007% *  0.0630% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  14.80 +/- 2.10   0.002% *  0.0950% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  16.51 +/- 3.49   0.001% *  0.0950% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  18.35 +/- 2.69   0.000% *  0.1456% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.00 +/- 1.22   0.000% *  0.1282% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.67 +/- 1.77   0.000% *  0.1505% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  19.95 +/- 3.46   0.000% *  0.1282% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.60 +/- 1.30   0.000% *  0.0817% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  21.75 +/- 4.61   0.000% *  0.1153% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.21 +/- 2.00   0.000% *  0.1086% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  24.55 +/- 1.27   0.000% *  0.1456% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  23.80 +/- 4.38   0.000% *  0.0817% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  23.56 +/- 3.68   0.000% *  0.0294% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  25.85 +/- 3.09   0.000% *  0.0294% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  29.55 +/- 1.38   0.000% *  0.0467% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 3.53, residual support = 24.2:
          HA    ALA  120 - HN    LEU  123   2.66 +/- 0.13  91.317% * 67.2973% (0.99   3.60  25.14) =  95.907%  kept
          HA    LYS+ 121 - HN    LEU  123   3.99 +/- 0.09   8.560% * 30.6348% (0.84   1.94   2.18) =   4.093%  kept
          QB    SER  117 - HN    LEU  123   8.17 +/- 0.32   0.111% *  0.1836% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.83 +/- 2.19   0.006% *  0.2591% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  24.81 +/- 3.49   0.002% *  0.2883% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  18.81 +/- 2.68   0.001% *  0.2883% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  19.15 +/- 0.59   0.001% *  0.3383% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.00 +/- 3.10   0.002% *  0.0582% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  25.74 +/- 2.18   0.000% *  0.3640% (0.97   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  25.91 +/- 0.78   0.000% *  0.2883% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.989, support = 4.7, residual support = 31.1:
          HB3   HIS  122 - HN    LEU  123   3.87 +/- 0.43  94.198% * 84.5943% (0.99   4.74  31.41) =  98.915%  kept
          QE    LYS+ 121 - HN    LEU  123   6.79 +/- 0.90   5.798% * 15.0813% (0.76   1.10   2.18) =   1.085%  kept
          HG2   GLN   30 - HN    LEU  123  23.98 +/- 1.89   0.002% *  0.1002% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  28.76 +/- 2.09   0.001% *  0.1754% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  27.09 +/- 2.25   0.001% *  0.0488% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 200.7:
          HG    LEU  123 - HN    LEU  123   3.62 +/- 0.22  94.825% * 96.6344% (0.76   5.52 200.72) =  99.991%  kept
          QB    LYS+  66 - HN    LEU  123   7.77 +/- 3.34   3.742% *  0.0907% (0.20   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    LEU  123   9.57 +/- 4.02   0.716% *  0.3504% (0.76   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    LEU  123  11.27 +/- 4.61   0.497% *  0.3977% (0.87   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    LEU  123  21.54 +/- 3.64   0.103% *  0.3504% (0.76   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU  123  13.24 +/- 1.91   0.053% *  0.2055% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  17.18 +/- 3.03   0.013% *  0.3829% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  17.34 +/- 2.77   0.012% *  0.2232% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  17.21 +/- 3.55   0.013% *  0.1564% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.42 +/- 1.60   0.020% *  0.0620% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  21.08 +/- 2.55   0.003% *  0.2966% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  22.33 +/- 2.45   0.002% *  0.3671% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  25.86 +/- 1.51   0.001% *  0.2596% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  27.39 +/- 1.29   0.001% *  0.2232% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.18 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.92, residual support = 200.7:
      O   HB2   LEU  123 - HN    LEU  123   2.35 +/- 0.43  98.436% * 99.1788% (0.76  10.0   5.92 200.72) =  99.998%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.16 +/- 0.10   1.550% *  0.0942% (0.73   1.0   0.02   2.18) =   0.001%
          QD    LYS+  65 - HN    LEU  123  13.38 +/- 1.61   0.007% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  17.47 +/- 3.63   0.002% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  17.76 +/- 2.04   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  19.24 +/- 4.17   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.80 +/- 1.21   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  20.75 +/- 1.94   0.001% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  20.27 +/- 1.63   0.001% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.44 +/- 1.23   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  26.95 +/- 1.27   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.38, residual support = 200.7:
          QD1   LEU  123 - HN    LEU  123   2.25 +/- 0.21  97.386% * 98.8089% (0.90   6.38 200.72) =  99.998%  kept
          QD2   LEU  123 - HN    LEU  123   4.20 +/- 0.07   2.502% *  0.0533% (0.15   0.02 200.72) =   0.001%
          QG1   VAL   70 - HN    LEU  123   9.53 +/- 3.55   0.044% *  0.2372% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU  123  10.78 +/- 4.85   0.028% *  0.3422% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.51 +/- 2.36   0.036% *  0.0533% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  16.22 +/- 2.63   0.001% *  0.3097% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  14.34 +/- 0.90   0.002% *  0.1955% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.244, support = 6.31, residual support = 33.8:
      O   HA    LYS+ 121 - HN    HIS  122   3.50 +/- 0.02  50.284% * 66.5007% (0.20  10.0   6.51  49.22) =  67.501%  kept
          HA    ALA  120 - HN    HIS  122   3.51 +/- 0.13  49.042% * 32.8281% (0.33   1.0   5.91   1.90) =  32.499%  kept
          QB    SER  117 - HN    HIS  122   7.27 +/- 0.30   0.643% *  0.0293% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  13.70 +/- 1.97   0.017% *  0.1084% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  18.53 +/- 2.51   0.003% *  0.1134% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  17.34 +/- 0.71   0.003% *  0.0760% (0.23   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  21.68 +/- 2.61   0.004% *  0.0401% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  23.71 +/- 2.97   0.002% *  0.0572% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  24.23 +/- 0.77   0.000% *  0.1134% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  24.48 +/- 1.67   0.001% *  0.0898% (0.27   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.91 +/- 3.35   0.001% *  0.0232% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  23.65 +/- 1.12   0.001% *  0.0206% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.265, support = 4.06, residual support = 13.1:
          HA    ILE  119 - HN    HIS  122   3.65 +/- 0.24  87.738% * 55.8115% (0.27   4.07  14.17) =  90.234%  kept
          HA    THR  118 - HN    HIS  122   5.17 +/- 0.20  12.220% * 43.3684% (0.21   3.99   2.77) =   9.766%  kept
          HD3   PRO   58 - HN    HIS  122  13.96 +/- 0.99   0.030% *  0.0997% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.62 +/- 1.22   0.007% *  0.1107% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.60 +/- 0.79   0.002% *  0.1887% (0.19   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  22.56 +/- 0.90   0.002% *  0.1746% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  26.53 +/- 2.84   0.001% *  0.2464% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.24, residual support = 67.4:
      O   HB2   HIS  122 - HN    HIS  122   3.30 +/- 0.61  98.740% * 99.5910% (0.11  10.0   5.24  67.36) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   8.05 +/- 2.36   1.217% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  12.81 +/- 0.54   0.042% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  27.05 +/- 1.29   0.000% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.325, support = 5.94, residual support = 67.2:
      O   HB3   HIS  122 - HN    HIS  122   2.91 +/- 0.43  95.145% * 82.9427% (0.33  10.0   5.93  67.36) =  98.966%  kept
          QE    LYS+ 121 - HN    HIS  122   5.85 +/- 0.75   4.854% * 16.9834% (0.21   1.0   6.23  49.22) =   1.034%  kept
          HB3   ASP-  78 - HN    HIS  122  27.22 +/- 1.59   0.000% *  0.0581% (0.23   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  22.61 +/- 2.01   0.001% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.312, support = 6.99, residual support = 46.8:
          HB2   LYS+ 121 - HN    HIS  122   3.54 +/- 0.15  70.576% * 71.8033% (0.33   7.25  49.22) =  86.454%  kept
          HB2   LEU  123 - HN    HIS  122   4.19 +/- 0.49  29.328% * 27.0734% (0.17   5.31  31.41) =  13.546%  kept
          QD    LYS+  65 - HN    HIS  122  13.46 +/- 1.39   0.027% *  0.2021% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  16.19 +/- 3.74   0.012% *  0.1520% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  16.35 +/- 1.97   0.011% *  0.1102% (0.19   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  18.57 +/- 4.06   0.005% *  0.2075% (0.35   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.30 +/- 0.86   0.018% *  0.0367% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.63 +/- 1.15   0.007% *  0.0522% (0.09   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  18.08 +/- 1.20   0.004% *  0.0861% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  17.03 +/- 1.30   0.006% *  0.0323% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.14 +/- 1.65   0.004% *  0.0367% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  25.14 +/- 1.31   0.001% *  0.2075% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (1.52, 7.24, 114.00 ppm):
    9 chemical-shift based assignments, quality = 0.33, support = 6.45, residual support = 49.2:
          HB3   LYS+ 121 - HN    HIS  122   3.67 +/- 0.26  82.629% * 68.1512% (0.35   6.41  49.22) =  92.031%  kept
          HD2   LYS+ 121 - HN    HIS  122   5.19 +/- 0.68  15.786% * 30.8730% (0.15   6.92  49.22) =   7.965%  kept
          QD    LYS+  66 - HN    HIS  122   8.49 +/- 2.45   1.309% *  0.1737% (0.28   0.02   0.02) =   0.004%
          HG    LEU  104 - HN    HIS  122  11.41 +/- 4.83   0.218% *  0.2126% (0.35   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    HIS  122  14.33 +/- 1.17   0.025% *  0.2003% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  14.50 +/- 1.34   0.023% *  0.0740% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  18.23 +/- 1.06   0.005% *  0.1945% (0.32   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  21.15 +/- 3.55   0.003% *  0.0603% (0.10   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.90 +/- 1.38   0.002% *  0.0603% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.06 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.43, residual support = 31.4:
          QD1   LEU  123 - HN    HIS  122   3.15 +/- 0.38  97.590% * 98.5146% (0.31   6.43  31.41) =  99.994%  kept
          HB3   LEU   63 - HN    HIS  122   8.37 +/- 2.31   0.890% *  0.2285% (0.23   0.02   0.02) =   0.002%
          QG1   VAL   70 - HN    HIS  122   8.88 +/- 3.41   0.567% *  0.3502% (0.35   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    HIS  122   9.20 +/- 4.94   0.901% *  0.1859% (0.19   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    HIS  122  13.42 +/- 1.01   0.023% *  0.3525% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    HIS  122  15.21 +/- 2.66   0.016% *  0.3065% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  14.53 +/- 0.68   0.013% *  0.0619% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.537, support = 2.68, residual support = 5.99:
          HA    THR  118 - HN    LYS+ 121   3.43 +/- 0.18  73.641% * 34.0637% (0.49   2.22   8.28) =  59.531%  kept
          HA    ILE  119 - HN    LYS+ 121   4.08 +/- 0.09  26.324% * 64.7788% (0.61   3.35   2.63) =  40.469%  kept
          HD3   PRO   58 - HN    LYS+ 121  13.64 +/- 0.68   0.020% *  0.1407% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  15.93 +/- 1.47   0.011% *  0.1562% (0.25   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  25.92 +/- 2.59   0.001% *  0.3477% (0.55   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  22.05 +/- 0.65   0.001% *  0.2663% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  22.24 +/- 0.64   0.001% *  0.2464% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.758, support = 6.79, residual support = 310.6:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.28 +/- 0.48  97.743% * 99.3852% (0.76  10.0   6.79 310.58) =  99.999%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.01 +/- 0.62   2.238% *  0.0511% (0.39   1.0   0.02   2.18) =   0.001%
          QD    LYS+  65 - HN    LYS+ 121  14.74 +/- 1.20   0.003% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  15.46 +/- 2.24   0.003% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  16.29 +/- 3.29   0.002% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.42 +/- 1.13   0.003% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.26 +/- 0.58   0.003% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  20.05 +/- 3.39   0.001% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.75 +/- 1.30   0.003% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.80 +/- 1.14   0.001% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.40 +/- 1.85   0.001% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  25.21 +/- 1.04   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.05 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.484, support = 4.85, residual support = 194.1:
          HD2   LYS+ 121 - HN    LYS+ 121   3.62 +/- 0.73  26.185% * 81.0743% (0.64   5.65 310.58) =  62.219%  kept
          QB    ALA  120 - HN    LYS+ 121   2.82 +/- 0.11  73.638% * 17.5057% (0.22   3.52   2.24) =  37.781%  kept
          QD    LYS+  66 - HN    LYS+ 121  10.04 +/- 2.13   0.074% *  0.1473% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   8.97 +/- 0.95   0.092% *  0.0996% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  13.74 +/- 3.59   0.009% *  0.1744% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.95 +/- 1.18   0.002% *  0.3107% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  20.33 +/- 0.86   0.001% *  0.3574% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.82 +/- 1.16   0.000% *  0.3307% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.9, residual support = 310.6:
          HG2   LYS+ 121 - HN    LYS+ 121   3.66 +/- 0.28  95.135% * 99.0753% (0.77   5.90 310.58) =  99.994%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.27 +/- 0.25   4.167% *  0.0688% (0.16   0.02   2.63) =   0.003%
          QG2   VAL  107 - HN    LYS+ 121   8.59 +/- 0.92   0.661% *  0.3448% (0.79   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 121  14.50 +/- 2.42   0.030% *  0.2251% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  20.44 +/- 0.92   0.004% *  0.2251% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  21.64 +/- 2.75   0.003% *  0.0609% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 2.19, residual support = 2.18:
          QD1   LEU  123 - HN    LYS+ 121   4.42 +/- 0.10  86.768% * 90.0529% (0.72   2.20   2.18) =  99.216%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.52 +/- 0.06   8.511% *  6.9429% (0.12   0.99   2.18) =   0.750%  kept
          HB3   LEU  104 - HN    LYS+ 121   9.47 +/- 4.41   2.100% *  0.9036% (0.79   0.02   0.02) =   0.024%
          QG1   VAL   70 - HN    LYS+ 121  10.62 +/- 2.76   0.689% *  0.6262% (0.55   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    LYS+ 121   9.52 +/- 2.07   1.817% *  0.1407% (0.12   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LYS+ 121  14.44 +/- 0.89   0.077% *  0.5161% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LYS+ 121  16.58 +/- 2.15   0.038% *  0.8176% (0.72   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.27 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.03, residual support = 55.6:
          HB    ILE  119 - HN    ALA  120   2.62 +/- 0.15  99.962% * 97.4768% (0.90   5.03  55.62) = 100.000%  kept
          HB2   LYS+ 111 - HN    ALA  120  11.42 +/- 1.24   0.020% *  0.1220% (0.28   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  14.39 +/- 0.73   0.004% *  0.3300% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  13.66 +/- 1.53   0.006% *  0.1772% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  15.56 +/- 3.09   0.004% *  0.2397% (0.56   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  18.80 +/- 1.84   0.001% *  0.3020% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  21.89 +/- 3.21   0.000% *  0.3943% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  22.04 +/- 1.38   0.000% *  0.3873% (0.90   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  22.94 +/- 1.27   0.000% *  0.3738% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  19.46 +/- 2.05   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  20.91 +/- 1.50   0.000% *  0.0985% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.06, residual support = 14.4:
      O   QB    ALA  120 - HN    ALA  120   2.11 +/- 0.06  99.419% * 99.1734% (0.49  10.0   4.06  14.43) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.64 +/- 1.02   0.434% *  0.0992% (0.49   1.0   0.02   2.24) =   0.000%
          HG    LEU  115 - HN    ALA  120   7.16 +/- 1.18   0.105% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.41 +/- 2.26   0.035% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  15.01 +/- 2.91   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  13.97 +/- 4.01   0.005% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.75 +/- 1.22   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.93 +/- 0.99   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  21.96 +/- 1.22   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.63, residual support = 55.6:
          QG2   ILE  119 - HN    ALA  120   3.46 +/- 0.17  99.395% * 96.6193% (0.49   5.63  55.62) =  99.997%  kept
          QD1   LEU   67 - HN    ALA  120  11.39 +/- 3.30   0.405% *  0.5220% (0.74   0.02   0.02) =   0.002%
          QD2   LEU   40 - HN    ALA  120  11.70 +/- 2.58   0.103% *  0.4982% (0.71   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    ALA  120  12.29 +/- 1.72   0.059% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.29 +/- 1.59   0.023% *  0.4734% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  16.93 +/- 1.54   0.008% *  0.5445% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.56 +/- 1.33   0.004% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  20.20 +/- 1.48   0.003% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.79, residual support = 15.1:
      O   QB    SER  117 - HN    SER  117   2.19 +/- 0.18  99.844% * 97.2780% (0.25  10.0   2.79  15.09) =  99.999%  kept
          HA    ALA  120 - HN    SER  117   7.17 +/- 0.38   0.101% *  0.3690% (0.95   1.0   0.02   6.34) =   0.000%
          HA    LYS+ 121 - HN    SER  117   7.97 +/- 0.45   0.052% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  14.96 +/- 1.01   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.42 +/- 1.07   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.74 +/- 1.91   0.001% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.71 +/- 1.78   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  22.68 +/- 1.18   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  22.38 +/- 1.66   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  23.45 +/- 1.35   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  21.49 +/- 1.14   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  28.19 +/- 1.11   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.367, support = 5.11, residual support = 27.2:
          HG3   GLN  116 - HN    SER  117   4.98 +/- 0.46  37.844% * 69.1460% (0.49   4.98  27.24) =  58.711%  kept
          HG2   GLN  116 - HN    SER  117   4.57 +/- 0.87  61.689% * 29.8301% (0.20   5.29  27.24) =  41.287%  kept
          HB3   PHE   95 - HN    SER  117  11.03 +/- 0.90   0.451% *  0.1422% (0.25   0.02   0.02) =   0.001%
          HB3   TRP   87 - HN    SER  117  18.88 +/- 0.76   0.016% *  0.3228% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  32.21 +/- 0.97   0.001% *  0.5589% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.32 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 27.2:
          HB2   GLN  116 - HN    SER  117   3.04 +/- 0.29  99.892% * 98.7656% (0.97   4.86  27.24) = 100.000%  kept
          HB2   PRO   58 - HN    SER  117  11.21 +/- 1.87   0.087% *  0.3058% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    SER  117  13.10 +/- 1.65   0.020% *  0.4211% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  23.09 +/- 2.15   0.001% *  0.3776% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  25.10 +/- 1.20   0.000% *  0.1300% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.06, residual support = 115.2:
          HG2   GLN  116 - HN    GLN  116   3.23 +/- 0.46  99.871% * 99.4082% (0.73   7.06 115.16) = 100.000%  kept
          HB3   PHE   95 - HN    GLN  116  10.53 +/- 0.96   0.129% *  0.3103% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    GLN  116  31.70 +/- 1.19   0.000% *  0.2814% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 115.2:
      O   HB2   GLN  116 - HN    GLN  116   2.13 +/- 0.10  99.946% * 99.6757% (0.98  10.0   7.63 115.16) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116   9.21 +/- 1.96   0.053% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.83 +/- 1.34   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.29 +/- 1.76   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  24.01 +/- 1.37   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  26.95 +/- 1.00   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.795, support = 7.3, residual support = 96.1:
          HB2   LEU  115 - HN    GLN  116   3.24 +/- 0.48  87.372% * 66.9845% (0.80   7.45 100.68) =  95.412%  kept
          QB    GLU- 114 - HN    GLN  116   5.08 +/- 0.35   8.753% * 32.1318% (0.69   4.17   0.19) =   4.585%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.36 +/- 1.05   3.615% *  0.0346% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLN  116   9.81 +/- 1.98   0.240% *  0.1876% (0.84   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  16.62 +/- 2.48   0.009% *  0.0923% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  18.41 +/- 2.35   0.004% *  0.1876% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.83 +/- 1.34   0.001% *  0.1716% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  18.47 +/- 1.48   0.004% *  0.0444% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.89 +/- 1.57   0.001% *  0.0444% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  22.12 +/- 1.57   0.001% *  0.0444% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  31.09 +/- 1.37   0.000% *  0.0766% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.12 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.824, support = 8.22, residual support = 100.0:
          HG    LEU  115 - HN    GLN  116   3.47 +/- 0.95  64.703% * 39.8782% (0.73   8.38 100.68) =  60.947%  kept
          HB3   LEU  115 - HN    GLN  116   4.10 +/- 0.23  31.217% * 52.0052% (0.98   8.09 100.68) =  38.347%  kept
          QB    ALA  120 - HN    GLN  116   5.91 +/- 0.58   3.960% *  7.5505% (0.73   1.59   0.25) =   0.706%  kept
          QG    LYS+  66 - HN    GLN  116  11.57 +/- 1.45   0.087% *  0.0492% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  17.01 +/- 3.03   0.010% *  0.1311% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  17.11 +/- 1.35   0.006% *  0.1285% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  18.25 +/- 1.17   0.004% *  0.0638% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  17.03 +/- 1.92   0.008% *  0.0292% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  20.53 +/- 1.50   0.002% *  0.0742% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.05 +/- 1.98   0.002% *  0.0901% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.61, residual support = 100.7:
          QD1   LEU  115 - HN    GLN  116   3.94 +/- 0.76  99.976% * 99.6305% (0.49   7.61 100.68) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.75 +/- 1.02   0.024% *  0.3695% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 100.7:
          QD2   LEU  115 - HN    GLN  116   2.36 +/- 0.55  99.671% * 98.5890% (0.57  10.00 100.68) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   8.01 +/- 1.05   0.194% *  0.3124% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN  116   9.25 +/- 1.41   0.121% *  0.2910% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  13.69 +/- 1.57   0.007% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  17.07 +/- 1.10   0.002% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  15.94 +/- 1.20   0.003% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  17.22 +/- 0.77   0.001% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  20.24 +/- 1.48   0.001% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  20.84 +/- 1.33   0.000% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.722, support = 1.47, residual support = 14.6:
          QD1   ILE  119 - HN    GLN  116   4.45 +/- 0.32  87.620% * 89.3879% (0.73   1.49  14.77) =  98.914%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.54 +/- 0.84  11.487% *  7.3610% (0.38   0.24   0.02) =   1.068%  kept
          QG2   VAL  108 - HN    GLN  116   9.94 +/- 0.67   0.798% *  1.6544% (1.00   0.02   0.02) =   0.017%
          HB2   LEU  104 - HN    GLN  116  14.47 +/- 1.58   0.094% *  1.5966% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.24:
          HA    LYS+ 112 - HN    LEU  115   3.33 +/- 0.37  99.937% * 94.6610% (0.90   0.75   2.24) =  99.998%  kept
          HB2   HIS  122 - HN    LEU  115  12.98 +/- 1.04   0.047% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  15.23 +/- 1.58   0.016% *  2.5243% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.227, support = 5.19, residual support = 100.0:
          HB2   GLN  116 - HN    LEU  115   4.57 +/- 0.12  98.065% * 66.4516% (0.22   5.22 100.68) =  99.284%  kept
          HB2   PRO   58 - HN    LEU  115  10.23 +/- 1.86   1.482% * 31.5535% (0.80   0.69   0.02) =   0.713%  kept
          HG2   PRO   52 - HN    LEU  115  12.63 +/- 0.97   0.258% *  0.5126% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  13.44 +/- 1.26   0.182% *  0.3900% (0.34   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    LEU  115  23.50 +/- 1.03   0.006% *  0.1764% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  24.09 +/- 1.59   0.005% *  0.1764% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  31.57 +/- 0.96   0.001% *  0.7396% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.36 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.798, support = 7.32, residual support = 223.6:
      O   HB2   LEU  115 - HN    LEU  115   2.13 +/- 0.17  86.659% * 82.4644% (0.80  10.0   7.38 227.93) =  97.948%  kept
          QB    GLU- 114 - HN    LEU  115   3.26 +/- 0.41   8.734% * 17.1303% (0.69   1.0   4.84  15.68) =   2.051%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.25 +/- 1.29   4.584% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  10.43 +/- 1.97   0.022% *  0.0860% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  17.36 +/- 2.59   0.000% *  0.0423% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  19.50 +/- 2.40   0.000% *  0.0860% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.42 +/- 1.12   0.000% *  0.0787% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  18.49 +/- 1.39   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  22.37 +/- 1.52   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.32 +/- 1.56   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  29.87 +/- 1.02   0.000% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.953, support = 7.49, residual support = 227.9:
      O   HB3   LEU  115 - HN    LEU  115   3.12 +/- 0.32  69.713% * 77.8483% (0.98  10.0   7.48 227.93) =  89.282%  kept
          HG    LEU  115 - HN    LEU  115   3.89 +/- 0.75  29.952% * 21.7511% (0.73   1.0   7.54 227.93) =  10.718%  kept
          QB    ALA  120 - HN    LEU  115   7.72 +/- 0.46   0.307% *  0.0577% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.91 +/- 1.61   0.016% *  0.0298% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  17.75 +/- 2.94   0.003% *  0.0794% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  17.20 +/- 1.10   0.003% *  0.0778% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.43 +/- 0.93   0.002% *  0.0387% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.85 +/- 1.35   0.001% *  0.0450% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.52 +/- 1.89   0.001% *  0.0546% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.72 +/- 1.96   0.002% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.47, residual support = 7.36:
          QG2   VAL  107 - HN    LEU  115   3.39 +/- 0.89  84.275% * 57.0529% (0.53   1.50   7.39) =  96.749%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.06 +/- 1.29  13.199% *  6.1669% (0.15   0.55   2.24) =   1.638%  kept
          HG13  ILE  119 - HN    LEU  115   7.11 +/- 1.09   2.424% * 33.0159% (0.73   0.63  10.32) =   1.611%  kept
          HG2   LYS+ 121 - HN    LEU  115  11.00 +/- 0.88   0.088% *  1.1051% (0.76   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    LEU  115  19.48 +/- 1.16   0.003% *  1.4428% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.70 +/- 0.65   0.009% *  0.2231% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  23.52 +/- 1.12   0.001% *  0.9933% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.04, residual support = 227.9:
          QD2   LEU  115 - HN    LEU  115   3.52 +/- 0.54  98.578% * 98.8214% (0.65   9.04 227.93) =  99.998%  kept
          QD1   LEU   63 - HN    LEU  115   8.05 +/- 1.13   1.263% *  0.1043% (0.31   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU  115  13.73 +/- 1.31   0.043% *  0.3030% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  12.44 +/- 0.95   0.091% *  0.1153% (0.34   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  16.46 +/- 0.98   0.015% *  0.1043% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.02 +/- 1.14   0.006% *  0.2321% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  20.30 +/- 0.76   0.004% *  0.3196% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.38, residual support = 227.9:
          QD1   LEU  115 - HN    LEU  115   3.83 +/- 0.47  99.971% * 99.6808% (0.80   7.38 227.93) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.44 +/- 0.79   0.029% *  0.3192% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (1.84, 8.62, 122.05 ppm):
    14 chemical-shift based assignments, quality = 0.541, support = 6.73, residual support = 138.2:
      O   HB    ILE  103 - HN    ILE  103   2.10 +/- 0.07  90.140% * 65.0422% (0.53  10.0   6.72 138.17) =  94.591%  kept
          HG12  ILE  103 - HN    ILE  103   3.07 +/- 0.17   9.793% * 34.2384% (0.80   1.0   6.92 138.17) =   5.409%  kept
          HB    VAL   41 - HN    ILE  103   8.45 +/- 0.82   0.024% *  0.0800% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   8.04 +/- 0.47   0.031% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.64 +/- 0.38   0.010% *  0.0554% (0.45   1.0   0.02   2.39) =   0.000%
          QB    LYS+  33 - HN    ILE  103  16.00 +/- 0.55   0.000% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.23 +/- 1.05   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  20.38 +/- 2.31   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  19.31 +/- 1.90   0.000% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  19.35 +/- 0.78   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.46 +/- 1.24   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  19.61 +/- 1.05   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.66 +/- 0.88   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.92 +/- 1.58   0.000% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.22, residual support = 138.2:
          HG13  ILE  103 - HN    ILE  103   4.05 +/- 0.11  99.628% * 98.5418% (0.65   6.22 138.17) =  99.999%  kept
          QG2   VAL  107 - HN    ILE  103  13.35 +/- 0.44   0.082% *  0.4856% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ILE  103  14.45 +/- 4.11   0.079% *  0.4728% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  11.72 +/- 0.83   0.186% *  0.0858% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  20.02 +/- 0.54   0.007% *  0.3170% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  17.73 +/- 2.41   0.017% *  0.0970% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.18 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.841, support = 6.12, residual support = 138.2:
          QG2   ILE  103 - HN    ILE  103   3.50 +/- 0.09  49.754% * 70.5441% (1.00   6.29 138.17) =  71.269%  kept
          QD1   ILE  103 - HN    ILE  103   3.47 +/- 0.66  49.609% * 28.5187% (0.45   5.68 138.17) =  28.728%  kept
          QD2   LEU   40 - HN    ILE  103   7.22 +/- 0.41   0.598% *  0.2163% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ILE  103  14.56 +/- 2.39   0.016% *  0.2197% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.18 +/- 0.65   0.012% *  0.1269% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  15.86 +/- 2.00   0.007% *  0.0623% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  16.66 +/- 0.91   0.004% *  0.0922% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.12 +/- 0.83   0.001% *  0.2197% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.446, support = 7.41, residual support = 218.0:
          HG    LEU  104 - HN    LEU  104   3.25 +/- 0.35  96.029% * 87.0226% (0.45   7.44 218.98) =  99.540%  kept
          HG2   LYS+ 106 - HN    LEU  104   5.88 +/- 0.42   3.434% * 11.2157% (0.69   0.63   0.02) =   0.459%
          HB3   LYS+ 121 - HN    LEU  104   9.42 +/- 4.63   0.513% *  0.2339% (0.45   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LEU  104  15.59 +/- 2.12   0.012% *  0.2954% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  16.59 +/- 1.28   0.007% *  0.5172% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  17.88 +/- 0.86   0.004% *  0.3165% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  20.63 +/- 0.50   0.002% *  0.3988% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.266, support = 7.11, residual support = 151.5:
      O   HB2   LEU  104 - HN    LEU  104   2.51 +/- 0.10  45.840% * 65.7545% (0.22  10.0   7.39 218.98) =  63.021%  kept
          QG2   ILE  103 - HN    LEU  104   2.46 +/- 0.38  52.854% * 33.4592% (0.34   1.0   6.64  36.59) =  36.975%  kept
          QD2   LEU   40 - HN    LEU  104   4.87 +/- 0.54   1.290% *  0.1438% (0.49   1.0   0.02   0.02) =   0.004%
          QD1   LEU   67 - HN    LEU  104  11.50 +/- 2.62   0.011% *  0.1324% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  12.35 +/- 1.87   0.004% *  0.1438% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  15.22 +/- 0.83   0.001% *  0.2927% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.53 +/- 0.78   0.000% *  0.0736% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.786, support = 7.51, residual support = 191.0:
          QD2   LEU  104 - HN    LEU  104   3.23 +/- 0.80  77.493% * 65.6062% (0.80   7.92 218.98) =  86.886%  kept
          QD1   LEU   98 - HN    LEU  104   4.24 +/- 0.51  22.471% * 34.1498% (0.69   4.80   5.96) =  13.114%  kept
          QD1   ILE   19 - HN    LEU  104  15.20 +/- 0.91   0.014% *  0.1339% (0.65   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.95 +/- 0.89   0.010% *  0.0639% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  15.19 +/- 0.74   0.013% *  0.0461% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.684, support = 7.09, residual support = 52.2:
          HB2   PHE   97 - HN    ASP- 105   2.22 +/- 0.33  97.046% * 78.2485% (0.69   7.11  52.39) =  99.231%  kept
          QE    LYS+ 106 - HN    ASP- 105   4.94 +/- 1.18   2.822% * 20.8488% (0.25   5.22  23.13) =   0.769%  kept
          QE    LYS+  99 - HN    ASP- 105   7.78 +/- 0.76   0.101% *  0.2874% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   9.33 +/- 0.56   0.026% *  0.1318% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  16.18 +/- 1.06   0.001% *  0.2073% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  16.95 +/- 0.72   0.001% *  0.2327% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.77 +/- 1.36   0.002% *  0.0434% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.26, residual support = 52.4:
          HB3   PHE   97 - HN    ASP- 105   3.28 +/- 0.50  99.897% * 98.6304% (0.90   5.26  52.39) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.91 +/- 0.90   0.068% *  0.4185% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.27 +/- 0.93   0.021% *  0.4102% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  17.60 +/- 2.02   0.006% *  0.1876% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  17.74 +/- 0.70   0.006% *  0.1164% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.08 +/- 0.69   0.002% *  0.2369% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.83, residual support = 43.4:
      O   HB2   ASP- 105 - HN    ASP- 105   3.68 +/- 0.22  99.431% * 99.3924% (0.80  10.0   4.83  43.37) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  10.38 +/- 2.66   0.335% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.55 +/- 0.57   0.069% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  16.52 +/- 1.38   0.016% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.55 +/- 0.62   0.070% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.76 +/- 0.68   0.039% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  15.45 +/- 1.02   0.021% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.18 +/- 0.65   0.003% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  21.09 +/- 0.50   0.003% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.63 +/- 1.18   0.009% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.33 +/- 1.28   0.003% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.767, support = 4.7, residual support = 43.1:
      O   HB3   ASP- 105 - HN    ASP- 105   2.94 +/- 0.35  94.180% * 77.0368% (0.76  10.0   4.70  43.37) =  98.636%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.07 +/- 0.16   4.515% * 22.2039% (0.98   1.0   4.49  23.13) =   1.363%  kept
          HB    ILE  103 - HN    ASP- 105   6.25 +/- 0.32   1.262% *  0.0692% (0.69   1.0   0.02   2.39) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  14.76 +/- 2.13   0.016% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.10 +/- 2.17   0.005% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP- 105  15.35 +/- 0.50   0.006% *  0.0732% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  16.41 +/- 0.54   0.004% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.21 +/- 0.77   0.004% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  18.61 +/- 0.66   0.002% *  0.0931% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.47 +/- 0.69   0.003% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  20.82 +/- 0.50   0.001% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.77 +/- 1.78   0.001% *  0.0732% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.04 +/- 1.77   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.495, support = 5.92, residual support = 37.8:
          HG    LEU  104 - HN    ASP- 105   4.45 +/- 0.29  69.122% * 50.8405% (0.45   6.41  41.44) =  80.281%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.61 +/- 0.16  17.953% * 47.9647% (0.69   3.95  23.13) =  19.672%  kept
          HB3   LYS+ 121 - HN    ASP- 105   7.34 +/- 4.70  12.744% *  0.1586% (0.45   0.02   0.02) =   0.046%
          HB3   LYS+ 111 - HN    ASP- 105  13.59 +/- 2.14   0.127% *  0.2003% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    ASP- 105  17.42 +/- 1.25   0.021% *  0.3507% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  16.99 +/- 0.99   0.025% *  0.2146% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  20.67 +/- 0.47   0.007% *  0.2704% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.23, support = 6.12, residual support = 39.0:
          HB2   LEU  104 - HN    ASP- 105   2.24 +/- 0.29  87.754% * 63.7958% (0.22   6.39  41.44) =  93.691%  kept
          QG2   ILE  103 - HN    ASP- 105   3.43 +/- 0.31  11.135% * 33.8153% (0.34   2.21   2.39) =   6.301%  kept
          QD2   LEU   40 - HN    ASP- 105   5.21 +/- 0.63   1.074% *  0.4368% (0.49   0.02   0.02) =   0.008%
          QD1   LEU   67 - HN    ASP- 105  10.68 +/- 2.78   0.025% *  0.4023% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105  10.46 +/- 1.97   0.011% *  0.4368% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  15.15 +/- 0.97   0.001% *  0.8894% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  17.84 +/- 0.91   0.000% *  0.2237% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 3.87, residual support = 23.1:
          HB2   ASP- 105 - HN    LYS+ 106   2.83 +/- 0.29  99.654% * 97.8494% (0.98   3.87  23.13) =  99.999%  kept
          HG12  ILE  119 - HN    LYS+ 106   9.17 +/- 2.11   0.147% *  0.2120% (0.41   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    LYS+ 106   8.43 +/- 0.27   0.174% *  0.1591% (0.31   0.02   1.97) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  14.34 +/- 1.22   0.008% *  0.4624% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  16.84 +/- 0.57   0.003% *  0.3940% (0.76   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  13.26 +/- 1.38   0.012% *  0.0796% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  20.63 +/- 0.38   0.001% *  0.4307% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.47 +/- 0.60   0.000% *  0.4129% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.962, support = 5.27, residual support = 126.8:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.30 +/- 0.05  62.190% * 86.3220% (0.98  10.0   5.39 136.19) =  91.673%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.63 +/- 0.37  37.465% * 13.0145% (0.76   1.0   3.87  23.13) =   8.326%  kept
          HB    ILE  103 - HN    LYS+ 106   8.06 +/- 0.32   0.298% *  0.0605% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  13.55 +/- 2.24   0.018% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  15.99 +/- 0.90   0.005% *  0.0813% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  17.40 +/- 2.48   0.005% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.94 +/- 0.54   0.008% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.29 +/- 0.53   0.002% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  19.79 +/- 0.69   0.001% *  0.0850% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.46 +/- 0.71   0.002% *  0.0463% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.65 +/- 0.54   0.001% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  20.48 +/- 1.65   0.001% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  17.69 +/- 1.77   0.003% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.17, residual support = 2.3:
          QG2   THR  118 - HN    LYS+ 106   4.34 +/- 2.87 100.000% *100.0000% (0.53   2.17   2.30) = 100.000%  kept
    Distance limit 4.57 A violated in 2 structures by 0.76 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.7:
          HB2   PHE   95 - HN    VAL  107   2.42 +/- 0.54 100.000% *100.0000% (1.00   2.31  45.74) = 100.000%  kept
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 58.2:
      O   HB    VAL  107 - HN    VAL  107   2.37 +/- 0.10  99.972% * 99.7350% (0.99  10.0   3.33  58.23) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.19 +/- 0.44   0.016% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.39 +/- 1.16   0.010% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.07 +/- 0.90   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.16 +/- 0.69   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.19 +/- 0.68   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 5.13, residual support = 26.8:
          QB    LYS+ 106 - HN    VAL  107   3.17 +/- 0.13  96.922% * 95.3400% (0.53   5.13  26.78) =  99.993%  kept
          HB3   ASP- 105 - HN    VAL  107   5.97 +/- 0.59   2.725% *  0.1760% (0.25   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    VAL  107  10.29 +/- 2.63   0.163% *  0.6516% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  11.22 +/- 0.74   0.055% *  0.6331% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL  107  10.40 +/- 0.65   0.085% *  0.1397% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.06 +/- 1.92   0.012% *  0.5126% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  13.72 +/- 0.61   0.015% *  0.2902% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  16.70 +/- 0.64   0.005% *  0.6919% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  17.19 +/- 0.62   0.004% *  0.3436% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.78 +/- 0.50   0.001% *  0.6997% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  16.75 +/- 1.58   0.005% *  0.1572% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  17.27 +/- 2.26   0.005% *  0.1236% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  18.43 +/- 0.46   0.003% *  0.2408% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 58.2:
          QG1   VAL  107 - HN    VAL  107   2.92 +/- 0.34  99.670% * 90.6146% (0.20   3.84  58.23) =  99.993%  kept
          HG13  ILE  119 - HN    VAL  107   8.86 +/- 2.18   0.238% *  2.3621% (0.99   0.02   0.02) =   0.006%
          HG2   LYS+ 121 - HN    VAL  107  11.26 +/- 2.40   0.061% *  0.5943% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  107  12.93 +/- 1.36   0.018% *  1.4455% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  16.36 +/- 0.86   0.004% *  2.3779% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.14 +/- 0.61   0.004% *  1.4455% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  16.84 +/- 1.07   0.004% *  1.1600% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.08, residual support = 62.1:
      O   HB    VAL  108 - HN    VAL  108   2.90 +/- 0.48  99.454% * 99.4150% (0.95  10.0   4.08  62.13) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108   7.69 +/- 0.92   0.440% *  0.0994% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  11.69 +/- 1.29   0.045% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  12.26 +/- 1.91   0.030% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.38 +/- 1.60   0.005% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  13.76 +/- 2.38   0.022% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  20.03 +/- 0.65   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  22.08 +/- 0.37   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  20.95 +/- 0.99   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  22.27 +/- 1.75   0.001% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.61 +/- 1.49   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  37.46 +/- 1.78   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 15.3:
          QG2   VAL  107 - HN    VAL  108   3.24 +/- 0.12  99.812% * 92.9875% (0.28   3.64  15.34) =  99.998%  kept
          HG13  ILE  119 - HN    VAL  108  10.94 +/- 1.42   0.088% *  1.7394% (0.95   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    VAL  108  12.65 +/- 1.76   0.041% *  0.8950% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  108  11.99 +/- 1.26   0.052% *  0.6272% (0.34   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  18.59 +/- 0.60   0.003% *  1.5950% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  19.81 +/- 0.95   0.002% *  1.6974% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  18.52 +/- 1.10   0.003% *  0.4585% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.1, residual support = 15.3:
          QG1   VAL  107 - HN    VAL  108   4.02 +/- 0.20  99.630% * 95.2124% (0.25   4.10  15.34) =  99.995%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.41 +/- 0.80   0.233% *  1.1292% (0.61   0.02   0.02) =   0.003%
          HG    LEU   63 - HN    VAL  108  12.63 +/- 1.11   0.121% *  1.7967% (0.97   0.02   0.02) =   0.002%
          QG2   VAL   24 - HN    VAL  108  17.48 +/- 0.73   0.016% *  1.8617% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.61 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 27.2:
      O   HA    VAL   75 - HN    ASP-  76   2.21 +/- 0.03  99.999% * 99.6957% (0.69  10.0   4.64  27.15) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  15.79 +/- 1.36   0.001% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  17.73 +/- 0.90   0.000% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.28 +/- 1.38   0.000% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 36.4:
      O   HB2   ASP-  76 - HN    ASP-  76   2.74 +/- 0.46  99.319% * 99.7699% (1.00  10.0   3.72  36.39) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.76 +/- 0.46   0.659% *  0.0724% (0.73   1.0   0.02   4.10) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  12.82 +/- 0.55   0.015% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.17 +/- 1.58   0.005% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  22.83 +/- 0.47   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.52 +/- 1.67   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.75, residual support = 36.4:
      O   HB3   ASP-  76 - HN    ASP-  76   2.67 +/- 0.49  99.647% * 97.9021% (0.28  10.0   3.75  36.39) =  99.999%  kept
          HG3   MET   92 - HN    ASP-  76   9.18 +/- 1.09   0.123% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP-  76   8.44 +/- 0.38   0.157% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  76  12.27 +/- 1.49   0.034% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.06 +/- 0.55   0.020% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  12.95 +/- 0.71   0.012% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.26 +/- 0.84   0.001% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  17.33 +/- 1.40   0.002% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  18.06 +/- 1.44   0.002% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  19.92 +/- 0.86   0.001% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  23.50 +/- 1.27   0.000% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.2:
          QG1   VAL   75 - HN    ASP-  76   2.76 +/- 0.38  99.996% * 99.7156% (0.69   4.97  27.15) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.64 +/- 1.36   0.004% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 27.2:
          QG2   VAL   75 - HN    ASP-  76   4.03 +/- 0.32  99.868% * 99.6073% (0.98   4.64  27.15) =  99.999%  kept
          QG2   VAL   42 - HN    ASP-  76  12.41 +/- 0.85   0.132% *  0.3927% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.15:
      O   HA2   GLY  109 - HN    GLY  109   2.49 +/- 0.23  99.972% * 99.3336% (0.43  10.0   2.20   9.15) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  12.09 +/- 0.70   0.012% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  12.60 +/- 1.11   0.007% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  13.75 +/- 0.73   0.004% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  14.72 +/- 2.19   0.003% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.35 +/- 1.12   0.002% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.691, support = 0.02, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   6.49 +/- 1.08  84.036% * 20.3763% (0.70   0.02   0.02) =  87.883%  kept
          HG12  ILE   89 - HN    GLY  109  10.05 +/- 1.08   9.317% * 21.3024% (0.73   0.02   0.02) =  10.186%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.79 +/- 1.35   5.591% *  4.3683% (0.15   0.02   0.02) =   1.253%  kept
          HG2   LYS+  74 - HN    GLY  109  14.37 +/- 0.95   0.784% * 13.3882% (0.46   0.02   0.02) =   0.539%  kept
          HG    LEU   71 - HN    GLY  109  21.98 +/- 1.01   0.067% * 14.2794% (0.49   0.02   0.02) =   0.049%
          HG3   LYS+  99 - HN    GLY  109  22.03 +/- 0.58   0.064% * 12.4970% (0.43   0.02   0.02) =   0.041%
          HG13  ILE   19 - HN    GLY  109  22.02 +/- 1.17   0.059% *  8.2844% (0.28   0.02   0.02) =   0.025%
          HB3   LEU   71 - HN    GLY  109  21.06 +/- 0.64   0.081% *  5.5041% (0.19   0.02   0.02) =   0.023%
    Distance limit 4.50 A violated in 19 structures by 1.73 A, eliminated.
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.68:
          QG1   VAL  108 - HN    GLY  109   2.66 +/- 0.30  99.987% * 98.9381% (0.65   3.09   7.68) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.76 +/- 0.66   0.004% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  14.40 +/- 1.36   0.007% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  17.57 +/- 2.01   0.002% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.4:
      O   HA2   GLY  109 - HN    ALA  110   2.95 +/- 0.39  99.913% * 99.3336% (0.57  10.0   2.20   6.40) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  11.78 +/- 0.95   0.035% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  13.03 +/- 1.04   0.023% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  14.43 +/- 2.37   0.012% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  14.53 +/- 1.63   0.011% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  16.33 +/- 1.80   0.006% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.232, support = 0.739, residual support = 6.55:
          HG2   PRO   93 - HN    ALA  110   4.35 +/- 1.22  85.805% * 54.6666% (0.22   0.75   6.65) =  98.486%  kept
          HB3   PRO   52 - HN    ALA  110   7.04 +/- 2.44   9.985% *  6.4182% (0.98   0.02   0.02) =   1.346%  kept
          QB    LYS+ 106 - HN    ALA  110   8.70 +/- 0.78   2.846% *  1.2958% (0.20   0.02   0.02) =   0.077%
          HG2   ARG+  54 - HN    ALA  110  12.37 +/- 2.62   0.258% *  3.1872% (0.49   0.02   0.02) =   0.017%
          HB3   ASP- 105 - HN    ALA  110  12.94 +/- 0.84   0.264% *  2.9356% (0.45   0.02   0.02) =   0.016%
          HG    LEU  123 - HN    ALA  110  17.47 +/- 1.51   0.113% *  6.4182% (0.98   0.02   0.02) =   0.015%
          HB3   GLN   90 - HN    ALA  110  12.08 +/- 1.38   0.301% *  1.8205% (0.28   0.02   0.02) =   0.012%
          QB    LYS+  66 - HN    ALA  110  16.34 +/- 1.29   0.170% *  2.9356% (0.45   0.02   0.02) =   0.010%
          HG12  ILE  103 - HN    ALA  110  16.88 +/- 0.86   0.069% *  5.2431% (0.80   0.02   0.02) =   0.008%
          HB    ILE  103 - HN    ALA  110  17.22 +/- 0.80   0.067% *  3.4450% (0.53   0.02   0.02) =   0.005%
          HG3   PRO   68 - HN    ALA  110  22.66 +/- 2.66   0.047% *  3.7071% (0.57   0.02   0.02) =   0.004%
          HB    VAL   41 - HN    ALA  110  19.05 +/- 1.52   0.024% *  4.2358% (0.65   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA  110  16.77 +/- 1.82   0.042% *  1.4578% (0.22   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ALA  110  23.70 +/- 1.23   0.007% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 2 structures by 0.37 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.59:
      O   QB    ALA  110 - HN    ALA  110   2.67 +/- 0.24  99.252% * 98.9553% (0.69  10.0   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   6.67 +/- 1.08   0.730% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  12.98 +/- 1.63   0.010% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  16.63 +/- 1.36   0.002% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.83 +/- 1.67   0.001% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  18.46 +/- 1.86   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  20.06 +/- 2.23   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.06 +/- 1.22   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.09 +/- 2.16   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.58 +/- 1.75   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  21.70 +/- 1.90   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.21 +/- 2.58   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.4:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.26 +/- 0.50  75.110% * 99.3619% (1.00  10.0   7.06 315.48) =  99.983%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.22 +/- 0.69  24.790% *  0.0524% (0.53   1.0   0.02   2.56) =   0.017%
          HB    ILE  119 - HN    LYS+ 111  10.89 +/- 1.34   0.095% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  23.40 +/- 1.48   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.19 +/- 2.59   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.79 +/- 1.85   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  21.75 +/- 1.22   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.17 +/- 3.18   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  23.36 +/- 1.28   0.001% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  22.84 +/- 1.12   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.76 +/- 1.04   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.23 +/- 1.40   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.5:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.51 +/- 0.50  99.969% * 99.4649% (0.92  10.0   5.50 315.48) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  13.58 +/- 0.85   0.006% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  12.53 +/- 1.81   0.015% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.72 +/- 2.23   0.004% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  16.11 +/- 1.15   0.002% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.10 +/- 1.34   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.21 +/- 1.66   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  20.95 +/- 1.14   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  26.35 +/- 1.69   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 315.5:
          HG3   LYS+ 111 - HN    LYS+ 111   3.30 +/- 0.56  96.719% * 98.8203% (0.92   6.55 315.48) =  99.998%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.94 +/- 1.15   3.243% *  0.0647% (0.20   0.02  27.98) =   0.002%
          HG12  ILE   89 - HN    LYS+ 111  14.08 +/- 0.94   0.024% *  0.3156% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.32 +/- 0.91   0.009% *  0.1984% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.47 +/- 1.64   0.001% *  0.1851% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  23.26 +/- 1.54   0.001% *  0.2116% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  23.31 +/- 1.59   0.001% *  0.1227% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.22 +/- 1.27   0.001% *  0.0815% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 1 structures by 0.17 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.2, residual support = 2.2:
          QD1   ILE   56 - HN    LYS+ 111   5.27 +/- 3.02  94.342% * 97.5238% (0.76   2.20   2.20) =  99.953%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.28 +/- 0.94   2.655% *  1.1198% (0.97   0.02   0.02) =   0.032%
          QD2   LEU  123 - HN    LYS+ 111  14.70 +/- 0.99   2.019% *  0.3958% (0.34   0.02   0.02) =   0.009%
          QD2   LEU   73 - HN    LYS+ 111  17.32 +/- 1.30   0.791% *  0.5648% (0.49   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    LYS+ 111  22.27 +/- 1.57   0.192% *  0.3958% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 9 structures by 1.76 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.74, residual support = 231.6:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.80 +/- 0.05  99.994% * 99.8622% (0.87  10.0   5.74 231.65) = 100.000%  kept
          HB2   HIS  122 - HN    LYS+ 112  17.14 +/- 1.14   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LYS+ 112  15.99 +/- 1.57   0.004% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  26.78 +/- 2.01   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.07, residual support = 28.0:
          HB2   LYS+ 111 - HN    LYS+ 112   3.71 +/- 0.47  90.800% * 97.8535% (0.87   7.07  27.98) =  99.991%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.71 +/- 0.54   8.675% *  0.0887% (0.28   0.02   1.09) =   0.009%
          HB    ILE  119 - HN    LYS+ 112  10.61 +/- 0.85   0.228% *  0.1554% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+ 112  11.14 +/- 0.84   0.172% *  0.0887% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  12.24 +/- 2.00   0.109% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.62 +/- 2.89   0.004% *  0.3192% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  24.46 +/- 1.77   0.002% *  0.2556% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.93 +/- 2.10   0.001% *  0.2556% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  22.77 +/- 3.34   0.006% *  0.0559% (0.18   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  25.92 +/- 1.86   0.001% *  0.2556% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  25.50 +/- 1.64   0.001% *  0.1554% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.92 +/- 1.76   0.002% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.72 +/- 1.48   0.001% *  0.1807% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  31.92 +/- 1.47   0.000% *  0.1936% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.71, residual support = 231.6:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.48 +/- 0.49  99.865% * 98.9690% (0.76  10.0   5.71 231.65) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112  10.72 +/- 1.79   0.123% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  14.86 +/- 1.27   0.003% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.11 +/- 1.78   0.005% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  18.33 +/- 2.15   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  19.39 +/- 1.75   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.67 +/- 1.27   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.59 +/- 1.64   0.000% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  21.02 +/- 1.41   0.001% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.47 +/- 1.61   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  23.72 +/- 1.78   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  29.53 +/- 1.83   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  30.72 +/- 1.85   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.876, support = 5.73, residual support = 231.6:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.16 +/- 0.57  71.661% * 84.2673% (0.90  10.0   5.67 231.65) =  94.805%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.49 +/- 1.07  21.289% * 15.5370% (0.49   1.0   6.79 231.65) =   5.193%  kept
          QG2   VAL  107 - HN    LYS+ 112   5.68 +/- 1.08   7.005% *  0.0186% (0.20   1.0   0.02   0.02) =   0.002%
          QG2   THR   94 - HN    LYS+ 112  11.37 +/- 0.74   0.042% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  19.05 +/- 1.45   0.002% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.42 +/- 1.85   0.000% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 231.6:
          HG2   LYS+ 112 - HN    LYS+ 112   3.42 +/- 0.63  99.831% * 98.1749% (0.34   6.23 231.65) =  99.999%  kept
          QB    ALA   47 - HN    LYS+ 112  13.22 +/- 1.02   0.061% *  0.7402% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    LYS+ 112  14.42 +/- 1.30   0.052% *  0.6350% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  14.96 +/- 1.52   0.056% *  0.4499% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.74, residual support = 8.55:
          QD1   ILE   56 - HN    LYS+ 112   5.95 +/- 2.00  96.258% * 96.8846% (0.76   1.74   8.56) =  99.970%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.51 +/- 0.75   0.832% *  1.4089% (0.97   0.02   0.02) =   0.013%
          QD2   LEU  123 - HN    LYS+ 112  14.00 +/- 0.99   1.857% *  0.4980% (0.34   0.02   0.02) =   0.010%
          QD2   LEU   73 - HN    LYS+ 112  19.34 +/- 1.47   0.907% *  0.7106% (0.49   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    LYS+ 112  25.40 +/- 1.85   0.146% *  0.4980% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 13 structures by 2.06 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 231.6:
          HG3   LYS+ 112 - HN    LYS+ 112   3.20 +/- 0.44  99.773% * 99.2179% (0.87   5.94 231.65) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  13.73 +/- 1.89   0.051% *  0.3774% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112   9.73 +/- 0.84   0.175% *  0.0594% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.09 +/- 1.22   0.001% *  0.3453% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.07 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.12, residual support = 15.5:
      O   HA    LYS+ 112 - HN    ASP- 113   3.54 +/- 0.05  99.976% * 99.8622% (0.74  10.0   5.12  15.46) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.23 +/- 1.09   0.012% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  17.53 +/- 1.93   0.011% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  28.15 +/- 2.27   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.4, residual support = 14.2:
      O   QB    ASP- 113 - HN    ASP- 113   2.11 +/- 0.10 100.000% *100.0000% (0.82  10.0   3.40  14.21) = 100.000%  kept
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 2.74, residual support = 23.1:
          QG    GLU- 114 - HN    ASP- 113   4.29 +/- 0.48  99.186% * 93.2687% (0.26   2.74  23.14) =  99.990%  kept
          HB2   PRO   58 - HN    ASP- 113  11.84 +/- 2.04   0.593% *  1.0749% (0.41   0.02   0.02) =   0.007%
          HG2   PRO   52 - HN    ASP- 113  13.47 +/- 0.84   0.136% *  1.6877% (0.65   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    ASP- 113  15.23 +/- 1.57   0.081% *  0.5507% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ASP- 113  25.86 +/- 1.46   0.002% *  0.8288% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  34.52 +/- 1.64   0.000% *  2.0385% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  34.80 +/- 1.77   0.000% *  0.5507% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.807, support = 2.85, residual support = 6.6:
          HB2   LYS+ 111 - HN    ASP- 113   3.38 +/- 0.65  83.159% * 60.6669% (0.85   2.80   4.59) =  89.172%  kept
          QB    GLU- 114 - HN    ASP- 113   4.68 +/- 0.29  16.654% * 36.7823% (0.45   3.22  23.14) =  10.828%  kept
          HB    ILE  119 - HN    ASP- 113   9.76 +/- 0.58   0.179% *  0.1081% (0.21   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  23.44 +/- 2.56   0.001% *  0.3889% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  22.47 +/- 3.03   0.002% *  0.1628% (0.32   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  25.20 +/- 2.05   0.001% *  0.4251% (0.84   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  25.33 +/- 1.96   0.001% *  0.4251% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.66 +/- 1.94   0.001% *  0.1944% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  26.58 +/- 1.99   0.001% *  0.2282% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  25.99 +/- 1.72   0.001% *  0.1081% (0.21   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  32.83 +/- 1.70   0.000% *  0.3762% (0.74   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.02 +/- 1.30   0.000% *  0.1339% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.67, residual support = 15.5:
          HB2   LYS+ 112 - HN    ASP- 113   3.36 +/- 0.34  99.683% * 96.4576% (0.65   5.67  15.46) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  12.20 +/- 2.24   0.200% *  0.0687% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  12.44 +/- 1.94   0.073% *  0.1670% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.18 +/- 1.10   0.024% *  0.2879% (0.55   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  18.90 +/- 2.14   0.005% *  0.4108% (0.79   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  19.54 +/- 1.66   0.004% *  0.4108% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.32 +/- 1.17   0.003% *  0.3057% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.23 +/- 1.81   0.002% *  0.3860% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  22.21 +/- 1.79   0.002% *  0.1829% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  24.50 +/- 1.59   0.001% *  0.3717% (0.71   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  29.75 +/- 1.74   0.000% *  0.4294% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  24.78 +/- 2.01   0.001% *  0.1110% (0.21   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  31.05 +/- 2.00   0.000% *  0.4108% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.09 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.68, residual support = 15.5:
          HB3   LYS+ 112 - HN    ASP- 113   3.79 +/- 0.36  72.726% * 58.9211% (0.76   4.52  15.46) =  86.702%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.62 +/- 1.02  16.222% * 40.4734% (0.41   5.72  15.46) =  13.284%  kept
          QG2   VAL  107 - HN    ASP- 113   5.85 +/- 1.18  10.966% *  0.0575% (0.17   0.02   0.02) =   0.013%
          QG2   THR   94 - HN    ASP- 113  11.76 +/- 1.03   0.080% *  0.2522% (0.74   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ASP- 113  18.55 +/- 1.42   0.005% *  0.1763% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.57 +/- 1.71   0.001% *  0.1195% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.57, residual support = 23.1:
      O   HA    ASP- 113 - HN    GLU- 114   3.62 +/- 0.03  99.456% * 99.6702% (1.00  10.0   3.57  23.14) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.98 +/- 1.72   0.334% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  10.77 +/- 1.29   0.187% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  15.68 +/- 0.49   0.015% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.12 +/- 1.09   0.003% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  19.40 +/- 0.95   0.004% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.04 +/- 1.01   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.57, residual support = 23.1:
          QB    ASP- 113 - HN    GLU- 114   2.57 +/- 0.31  99.985% * 99.8709% (0.97   3.57  23.14) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.24 +/- 1.52   0.015% *  0.1291% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.41, residual support = 43.6:
          QG    GLU- 114 - HN    GLU- 114   2.40 +/- 0.40  99.991% * 97.7344% (0.84   4.41  43.64) = 100.000%  kept
          HG2   PRO   52 - HN    GLU- 114  13.48 +/- 0.92   0.005% *  0.5197% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU- 114  14.25 +/- 1.59   0.004% *  0.4052% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  24.95 +/- 1.05   0.000% *  0.4755% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  33.06 +/- 1.06   0.000% *  0.4599% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  33.10 +/- 1.28   0.000% *  0.4052% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.844, support = 3.71, residual support = 38.0:
      O   QB    GLU- 114 - HN    GLU- 114   2.39 +/- 0.25  52.222% * 84.7256% (0.84  10.0   3.79  43.64) =  86.263%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.86 +/- 1.15  47.778% * 14.7470% (0.90   1.0   3.24   2.56) =  13.737%  kept
          HG2   PRO   68 - HN    GLU- 114  21.40 +/- 2.67   0.000% *  0.0697% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.49 +/- 2.16   0.000% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.50 +/- 1.33   0.000% *  0.0775% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.25 +/- 1.71   0.000% *  0.0960% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  24.70 +/- 1.68   0.000% *  0.0960% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  25.22 +/- 1.40   0.000% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  31.41 +/- 1.11   0.000% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.16, residual support = 2.56:
          HB3   LYS+ 111 - HN    GLU- 114   3.45 +/- 0.57  99.450% * 91.5350% (0.92   1.16   2.56) =  99.994%  kept
          HD2   LYS+ 121 - HN    GLU- 114  10.01 +/- 2.12   0.364% *  0.7007% (0.41   0.02   0.02) =   0.003%
          HB3   LYS+ 121 - HN    GLU- 114  11.34 +/- 0.76   0.114% *  1.6708% (0.98   0.02   0.02) =   0.002%
          QD    LYS+  66 - HN    GLU- 114  15.66 +/- 2.06   0.041% *  1.3649% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    GLU- 114  18.58 +/- 1.67   0.014% *  1.5286% (0.90   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  17.46 +/- 1.06   0.007% *  1.6708% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  19.43 +/- 1.63   0.007% *  0.5814% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  22.97 +/- 1.43   0.002% *  0.4739% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  27.44 +/- 1.71   0.001% *  0.4739% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.871, support = 1.59, residual support = 3.87:
          QG1   VAL  107 - HN    GLU- 114   4.80 +/- 0.57  79.491% * 41.3581% (0.84   1.52   4.79) =  75.269%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.70 +/- 1.06  18.801% * 57.4292% (0.98   1.80   1.09) =  24.721%  kept
          HG13  ILE  119 - HN    GLU- 114   9.31 +/- 1.07   1.698% *  0.2681% (0.41   0.02   0.02) =   0.010%
          QG1   VAL   24 - HN    GLU- 114  23.32 +/- 1.40   0.006% *  0.6522% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  24.95 +/- 1.20   0.004% *  0.2924% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   2.95 +/- 0.31  99.981% * 99.4046% (0.57  10.0   3.86  14.95) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  13.65 +/- 1.28   0.016% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  17.92 +/- 1.09   0.003% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    GLY  101  25.59 +/- 1.04   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  26.41 +/- 1.78   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  28.78 +/- 0.91   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.91 +/- 0.05  99.996% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  16.24 +/- 1.03   0.004% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.28 +/- 0.48   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 75.8:
      O   HA    GLU- 100 - HN    GLU- 100   2.23 +/- 0.09  99.996% * 99.4046% (0.57  10.0   6.39  75.85) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.69 +/- 0.72   0.003% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  19.42 +/- 0.87   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    GLU- 100  25.58 +/- 0.79   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.73 +/- 1.52   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.15 +/- 0.54   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.32, residual support = 75.8:
          HG3   GLU- 100 - HN    GLU- 100   2.76 +/- 0.54  99.946% * 97.4484% (0.69   4.32  75.85) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  11.15 +/- 0.66   0.042% *  0.6441% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  14.73 +/- 1.10   0.008% *  0.6441% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  19.83 +/- 0.97   0.001% *  0.6216% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  18.94 +/- 1.56   0.002% *  0.1463% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  24.01 +/- 2.79   0.001% *  0.1300% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  24.92 +/- 1.80   0.000% *  0.1827% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  27.74 +/- 1.15   0.000% *  0.1827% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 40.1:
          HB2   LYS+  99 - HN    GLU- 100   4.47 +/- 0.08  99.721% * 99.1245% (0.73   5.60  40.11) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.10 +/- 0.36   0.259% *  0.4069% (0.84   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    GLU- 100  19.15 +/- 0.63   0.017% *  0.0964% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLU- 100  24.67 +/- 0.77   0.004% *  0.3723% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.09 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.38, residual support = 40.1:
          HG2   LYS+  99 - HN    GLU- 100   3.16 +/- 0.23  98.569% * 98.3929% (0.90   6.38  40.11) =  99.995%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.83 +/- 0.65   1.267% *  0.3319% (0.97   0.02   0.02) =   0.004%
          HB2   LEU   31 - HN    GLU- 100   9.83 +/- 0.76   0.143% *  0.1947% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  16.56 +/- 0.65   0.005% *  0.3253% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.67 +/- 1.29   0.005% *  0.1061% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.49 +/- 0.55   0.003% *  0.2086% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.64 +/- 0.57   0.005% *  0.0766% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  20.01 +/- 0.63   0.002% *  0.1414% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.68 +/- 2.47   0.001% *  0.2225% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 173.7:
      O   HB2   LYS+  99 - HN    LYS+  99   2.78 +/- 0.19  99.914% * 99.7262% (0.99  10.0   4.80 173.68) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.35 +/- 0.43   0.043% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  10.76 +/- 0.70   0.034% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  23.31 +/- 1.00   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  21.15 +/- 1.11   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.43 +/- 0.70   0.003% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  15.49 +/- 1.30   0.004% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  17.20 +/- 0.50   0.002% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.91, residual support = 17.8:
          QB    LEU   98 - HN    LYS+  99   2.97 +/- 0.23  95.298% * 93.6528% (0.57   3.91  17.77) =  99.999%  kept
          HG    LEU   73 - HN    GLN   30   5.84 +/- 1.36   4.098% *  0.0086% (0.01   0.02   8.04) =   0.000%
          HG12  ILE   19 - HN    GLN   30   8.39 +/- 0.83   0.284% *  0.0499% (0.06   0.02  15.00) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  99  13.47 +/- 4.29   0.019% *  0.7348% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  14.57 +/- 2.37   0.013% *  0.3798% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  12.12 +/- 0.90   0.028% *  0.1307% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  10.38 +/- 0.90   0.077% *  0.0446% (0.05   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  16.09 +/- 1.50   0.004% *  0.7597% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  10.76 +/- 0.31   0.049% *  0.0465% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  11.43 +/- 0.72   0.038% *  0.0537% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  15.44 +/- 1.63   0.008% *  0.2355% (0.28   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  10.91 +/- 0.77   0.048% *  0.0315% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.57 +/- 1.07   0.002% *  0.7075% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.69 +/- 0.46   0.002% *  0.7075% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  19.36 +/- 1.08   0.001% *  0.8175% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  18.99 +/- 1.18   0.002% *  0.6783% (0.80   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  18.06 +/- 0.54   0.002% *  0.5138% (0.61   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  20.88 +/- 2.45   0.001% *  0.2614% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  14.71 +/- 2.34   0.015% *  0.0172% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.26 +/- 0.98   0.004% *  0.0249% (0.03   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  17.50 +/- 1.04   0.003% *  0.0338% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  21.06 +/- 1.11   0.001% *  0.0465% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  19.72 +/- 1.54   0.001% *  0.0155% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  24.44 +/- 2.50   0.000% *  0.0483% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.757, support = 3.32, residual support = 17.1:
          QD2   LEU  104 - HN    LYS+  99   3.40 +/- 0.86  62.995% * 46.5420% (0.80   2.96  16.67) =  61.903%  kept
          QD1   LEU   98 - HN    LYS+  99   4.08 +/- 0.78  34.091% * 52.9260% (0.69   3.92  17.77) =  38.096%  kept
          QD1   ILE   19 - HN    GLN   30   6.30 +/- 0.85   2.680% *  0.0167% (0.04   0.02  15.00) =   0.001%
          QD1   ILE   19 - HN    LYS+  99  13.95 +/- 1.03   0.020% *  0.2543% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.86 +/- 0.73   0.079% *  0.0177% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  15.55 +/- 0.71   0.009% *  0.0875% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.36 +/- 0.75   0.005% *  0.1213% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  10.89 +/- 1.05   0.084% *  0.0058% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  12.72 +/- 0.63   0.029% *  0.0080% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.38 +/- 1.01   0.008% *  0.0207% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.849, support = 3.99, residual support = 16.5:
          QD1   LEU  104 - HN    LYS+  99   3.81 +/- 0.76  68.397% * 92.2140% (0.87   4.00  16.67) =  97.666%  kept
          QD1   LEU   73 - HN    GLN   30   4.64 +/- 0.64  28.442% *  5.2863% (0.06   3.49   8.04) =   2.328%  kept
          QD1   LEU   73 - HN    LYS+  99   9.32 +/- 0.63   0.463% *  0.4611% (0.87   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    LYS+  99  11.53 +/- 0.89   0.138% *  0.4611% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN   30   7.74 +/- 0.68   1.581% *  0.0346% (0.07   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  10.77 +/- 1.06   0.237% *  0.1478% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LYS+  99  15.62 +/- 0.78   0.021% *  0.5268% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   9.10 +/- 1.00   0.592% *  0.0144% (0.03   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  16.28 +/- 1.31   0.016% *  0.5304% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  15.41 +/- 1.17   0.022% *  0.2185% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  14.25 +/- 0.92   0.032% *  0.0303% (0.06   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  14.93 +/- 0.93   0.022% *  0.0303% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  14.20 +/- 1.31   0.035% *  0.0097% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  20.67 +/- 1.72   0.003% *  0.0348% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.06, residual support = 11.0:
          HB3   PHE   97 - HN    LEU   98   3.63 +/- 0.31  99.517% * 97.5600% (0.65   4.06  10.96) =  99.997%  kept
          HB2   GLU- 100 - HN    LEU   98   9.29 +/- 0.38   0.403% *  0.6668% (0.90   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    LEU   98  12.84 +/- 0.65   0.059% *  0.3912% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  18.07 +/- 0.87   0.008% *  0.6211% (0.84   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.25 +/- 0.95   0.007% *  0.5954% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.20 +/- 1.55   0.006% *  0.1655% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.654, support = 5.01, residual support = 28.7:
          HB    VAL   41 - HN    LEU   98   3.35 +/- 0.71  87.035% * 65.8561% (0.65   5.16  28.82) =  95.408%  kept
          HG12  ILE  103 - HN    LEU   98   5.60 +/- 0.67   8.630% * 31.8943% (0.80   2.02  26.41) =   4.582%  kept
          HB    ILE  103 - HN    LEU   98   7.36 +/- 0.31   1.268% *  0.2077% (0.53   0.02  26.41) =   0.004%
          HB3   ASP- 105 - HN    LEU   98   7.87 +/- 0.76   1.019% *  0.1770% (0.45   0.02   0.55) =   0.003%
          QB    LYS+ 106 - HN    LEU   98   7.31 +/- 0.57   1.843% *  0.0781% (0.20   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LEU   98  12.24 +/- 0.89   0.060% *  0.1770% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   98  11.49 +/- 0.60   0.076% *  0.1347% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   98  13.85 +/- 1.57   0.034% *  0.2235% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   98  16.95 +/- 2.75   0.013% *  0.3870% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.21 +/- 0.52   0.010% *  0.0879% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  21.64 +/- 0.91   0.002% *  0.3870% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  19.12 +/- 0.66   0.004% *  0.1098% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  19.07 +/- 0.42   0.004% *  0.0879% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  23.46 +/- 1.89   0.001% *  0.1922% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.06 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.12, residual support = 81.9:
      O   QB    LEU   98 - HN    LEU   98   2.84 +/- 0.24  98.214% * 99.2383% (0.84  10.0   5.12  81.94) = 100.000%  kept
          HB    VAL   42 - HN    LEU   98   5.74 +/- 0.64   1.668% *  0.0208% (0.18   1.0   0.02   0.71) =   0.000%
          HD3   LYS+ 121 - HN    LEU   98  12.84 +/- 3.71   0.021% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  12.76 +/- 1.54   0.018% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  11.89 +/- 2.28   0.036% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.54 +/- 0.48   0.006% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  12.43 +/- 0.72   0.016% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  16.08 +/- 1.08   0.003% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  15.65 +/- 1.15   0.004% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.86 +/- 1.05   0.004% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.89 +/- 0.57   0.005% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  19.57 +/- 2.10   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.99 +/- 0.83   0.002% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 4.65, residual support = 9.9:
          QD2   LEU   40 - HN    LEU   98   2.68 +/- 0.72  93.272% * 94.8635% (0.97   4.65   9.92) =  99.866%  kept
          QG2   ILE  103 - HN    LEU   98   5.86 +/- 0.39   2.910% *  3.9062% (0.87   0.21  26.41) =   0.128%
          QD1   ILE  103 - HN    LEU   98   5.95 +/- 0.78   3.243% *  0.0836% (0.20   0.02  26.41) =   0.003%
          QD1   LEU   67 - HN    LEU   98   9.16 +/- 2.09   0.448% *  0.3996% (0.95   0.02   0.02) =   0.002%
          QD2   LEU   71 - HN    LEU   98   8.96 +/- 0.70   0.101% *  0.1175% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  12.29 +/- 0.71   0.020% *  0.3068% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.21 +/- 0.67   0.005% *  0.3229% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.362, support = 4.22, residual support = 67.3:
          QD1   LEU   98 - HN    LEU   98   3.80 +/- 0.74  40.296% * 61.3387% (0.38   4.89  81.94) =  77.430%  kept
          QG1   VAL   41 - HN    LEU   98   4.14 +/- 0.54  27.809% * 14.4350% (0.15   2.80  28.82) =  12.575%  kept
          QG1   VAL   43 - HN    LEU   98   4.11 +/- 0.46  24.238% *  8.7666% (0.28   0.94   0.02) =   6.656%  kept
          QD2   LEU  104 - HN    LEU   98   5.49 +/- 1.02   7.549% * 14.1119% (0.99   0.43   5.96) =   3.337%  kept
          QD1   ILE   19 - HN    LEU   98  11.39 +/- 0.92   0.057% *  0.6170% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU   98  12.20 +/- 0.65   0.034% *  0.3254% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.80 +/- 0.85   0.016% *  0.4054% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.206, support = 4.56, residual support = 59.6:
          QD2   LEU   98 - HN    LEU   98   3.14 +/- 0.80  65.642% * 30.8366% (0.15   4.68  81.94) =  59.184%  kept
          QG2   VAL   41 - HN    LEU   98   4.16 +/- 0.78  23.595% * 55.1592% (0.28   4.64  28.82) =  38.055%  kept
          QD1   LEU  104 - HN    LEU   98   5.06 +/- 0.83   8.687% * 10.6934% (0.31   0.81   5.96) =   2.716%  kept
          QD1   LEU   73 - HN    LEU   98   6.47 +/- 0.68   1.151% *  0.7662% (0.90   0.02   0.02) =   0.026%
          QD2   LEU   63 - HN    LEU   98   8.00 +/- 1.02   0.529% *  0.7136% (0.84   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    LEU   98   8.42 +/- 0.87   0.353% *  0.7662% (0.90   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    LEU   98  13.82 +/- 1.47   0.016% *  0.4837% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   98  12.85 +/- 0.83   0.016% *  0.4495% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  14.12 +/- 1.13   0.011% *  0.1318% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 4.86, residual support = 62.7:
      O   HB2   PHE   97 - HN    PHE   97   2.51 +/- 0.26  98.757% * 99.6886% (0.95  10.0   4.86  62.72) =  99.999%  kept
          QE    LYS+ 106 - HN    PHE   97   5.55 +/- 0.44   1.145% *  0.0554% (0.53   1.0   0.02   8.77) =   0.001%
          QE    LYS+  99 - HN    PHE   97   9.16 +/- 0.70   0.047% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.95 +/- 0.67   0.038% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  13.61 +/- 0.59   0.005% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  13.24 +/- 1.55   0.007% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  16.43 +/- 0.89   0.002% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 46.6:
          HG2   MET   96 - HN    PHE   97   3.10 +/- 0.52  99.994% * 99.8228% (0.98   5.60  46.63) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  17.11 +/- 1.49   0.006% *  0.1772% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.21, residual support = 62.7:
      O   HB3   PHE   97 - HN    PHE   97   3.48 +/- 0.34  98.777% * 99.0693% (0.34  10.0   5.21  62.72) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.52 +/- 0.41   1.139% *  0.0808% (0.28   1.0   0.02   2.48) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.63 +/- 0.60   0.050% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  15.90 +/- 0.77   0.013% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.34 +/- 0.72   0.015% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  17.95 +/- 0.72   0.006% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.418, support = 5.64, residual support = 47.6:
          HB2   MET   96 - HN    PHE   97   3.96 +/- 0.15  89.578% * 35.5116% (0.31   6.07  46.63) =  83.717%  kept
          HB2   ASP- 105 - HN    PHE   97   5.90 +/- 0.61   9.815% * 63.0253% (0.98   3.39  52.39) =  16.280%  kept
          HG12  ILE  119 - HN    PHE   97  10.95 +/- 2.43   0.370% *  0.1557% (0.41   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HN    PHE   97  13.10 +/- 0.77   0.078% *  0.2895% (0.76   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    PHE   97  13.65 +/- 1.13   0.063% *  0.3397% (0.90   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    PHE   97  13.10 +/- 0.98   0.075% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  17.75 +/- 0.37   0.011% *  0.3164% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.38 +/- 0.49   0.009% *  0.3033% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 46.6:
          HB3   MET   96 - HN    PHE   97   4.43 +/- 0.16  99.622% * 91.3874% (0.15   6.07  46.63) =  99.995%  kept
          HB3   GLN   30 - HN    PHE   97  13.44 +/- 0.61   0.138% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  14.81 +/- 0.55   0.076% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  15.05 +/- 2.23   0.085% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.73 +/- 0.38   0.051% *  1.0259% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.69 +/- 1.46   0.020% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  21.92 +/- 1.08   0.007% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  30.08 +/- 1.99   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.18 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.634, support = 1.23, residual support = 1.17:
          QG2   ILE  103 - HN    PHE   97   3.82 +/- 0.45  82.917% * 46.6790% (0.61   1.27   1.02) =  82.753%  kept
          QD2   LEU   40 - HN    PHE   97   5.40 +/- 0.91  15.991% * 50.3936% (0.76   1.08   1.90) =  17.230%  kept
          QD1   LEU   67 - HN    PHE   97  10.43 +/- 2.34   0.579% *  0.8827% (0.73   0.02   0.02) =   0.011%
          HB    VAL   75 - HN    PHE   97  11.71 +/- 0.99   0.131% *  1.1499% (0.95   0.02   0.02) =   0.003%
          QD1   ILE  119 - HN    PHE   97  10.68 +/- 1.88   0.356% *  0.3031% (0.25   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    PHE   97  15.06 +/- 0.66   0.025% *  0.5917% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.0, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.37 +/- 0.26  98.938% * 95.7134% (0.24   4.00  11.99) =  99.988%  kept
          HB3   TRP   87 - HN    MET   96   7.46 +/- 0.55   1.035% *  1.0878% (0.54   0.02   0.02) =   0.012%
          HG3   GLN  116 - HN    MET   96  16.54 +/- 1.27   0.010% *  0.9352% (0.46   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  18.66 +/- 0.70   0.004% *  1.8834% (0.93   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  15.35 +/- 1.00   0.014% *  0.3802% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.08, residual support = 115.6:
      O   HB2   MET   96 - HN    MET   96   2.83 +/- 0.15  99.727% * 99.6054% (0.94  10.0   4.08 115.58) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.63 +/- 0.60   0.150% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  10.97 +/- 0.73   0.034% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96   9.98 +/- 1.11   0.070% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  13.54 +/- 0.41   0.009% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  15.13 +/- 0.71   0.005% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  15.81 +/- 1.02   0.004% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  18.27 +/- 0.61   0.001% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.6:
      O   HB3   MET   96 - HN    MET   96   2.69 +/- 0.17  99.955% * 99.5022% (0.57  10.0   3.97 115.58) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.48 +/- 0.60   0.019% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  12.67 +/- 0.93   0.011% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  13.18 +/- 2.22   0.013% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.65 +/- 0.94   0.001% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  20.38 +/- 1.10   0.001% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.51 +/- 1.89   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.187, support = 1.5, residual support = 16.4:
          HB    VAL   43 - HN    MET   96   3.09 +/- 0.56  99.562% * 76.2797% (0.19   1.50  16.41) =  99.982%  kept
          HB2   LEU   71 - HN    MET   96  10.25 +/- 0.54   0.149% *  4.4580% (0.82   0.02   0.02) =   0.009%
          HG2   PRO   93 - HN    MET   96  10.12 +/- 0.56   0.139% *  2.5016% (0.46   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    MET   96  12.12 +/- 0.41   0.043% *  3.7319% (0.69   0.02   0.13) =   0.002%
          QB    LYS+  65 - HN    MET   96  14.31 +/- 0.57   0.016% *  4.2927% (0.79   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HN    MET   96  11.92 +/- 0.49   0.045% *  1.4289% (0.26   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    MET   96  12.58 +/- 0.98   0.034% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  17.49 +/- 0.69   0.005% *  4.7442% (0.87   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    MET   96  15.75 +/- 0.97   0.008% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.845, support = 1.46, residual support = 1.8:
          QG2   THR   94 - HN    MET   96   4.46 +/- 0.31  95.064% * 85.1438% (0.85   1.46   1.78) =  99.411%  kept
          HG12  ILE   89 - HN    MET   96   7.86 +/- 0.61   4.355% * 10.8605% (0.21   0.75   5.99) =   0.581%  kept
          HB3   LEU   71 - HN    MET   96  11.44 +/- 0.44   0.357% *  1.2305% (0.89   0.02   0.02) =   0.005%
          HB3   LYS+ 112 - HN    MET   96  16.38 +/- 1.74   0.084% *  1.1284% (0.82   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  17.03 +/- 1.63   0.043% *  1.2751% (0.93   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  14.52 +/- 1.14   0.097% *  0.3617% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.08 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   3.91 +/- 0.42  97.098% * 96.6032% (0.76   2.96  16.41) =  99.980%  kept
          QG2   THR   46 - HN    MET   96   9.18 +/- 0.84   0.756% *  0.8141% (0.94   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    MET   96   8.67 +/- 0.32   0.943% *  0.4949% (0.57   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    MET   96   9.70 +/- 0.84   0.613% *  0.5925% (0.69   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    MET   96  10.15 +/- 0.57   0.448% *  0.7874% (0.91   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    MET   96  11.86 +/- 0.66   0.143% *  0.7078% (0.82   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.832, support = 1.06, residual support = 0.956:
          QD1   LEU   63 - HN    MET   96   6.14 +/- 0.76  24.575% * 62.2015% (0.85   1.16   0.97) =  80.317%  kept
          QD2   LEU   63 - HN    MET   96   7.19 +/- 1.04  10.170% * 34.3422% (0.79   0.69   0.97) =  18.351%  kept
          QD1   LEU   73 - HN    MET   96   6.84 +/- 0.64  11.940% *  1.0747% (0.85   0.02   0.02) =   0.674%  kept
          QD2   LEU   98 - HN    MET   96   5.77 +/- 1.04  39.393% *  0.1849% (0.15   0.02   0.40) =   0.383%
          QG2   VAL   41 - HN    MET   96   7.08 +/- 0.56   9.496% *  0.3332% (0.26   0.02   0.02) =   0.166%
          QD2   LEU   80 - HN    MET   96  10.17 +/- 0.90   1.038% *  0.6305% (0.50   0.02   0.02) =   0.034%
          QD2   LEU  115 - HN    MET   96  10.80 +/- 1.40   0.941% *  0.6784% (0.54   0.02   0.02) =   0.034%
          QD1   LEU  104 - HN    MET   96   9.35 +/- 0.72   1.698% *  0.3699% (0.29   0.02   0.02) =   0.033%
          QD1   LEU   80 - HN    MET   96  11.21 +/- 1.22   0.748% *  0.1849% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.51 A violated in 8 structures by 0.86 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 1.5, residual support = 5.99:
          QD1   ILE   89 - HN    MET   96   4.89 +/- 0.35  91.894% * 98.9263% (0.72   1.50   5.99) =  99.960%  kept
          QG2   VAL   83 - HN    MET   96   8.92 +/- 0.84   2.875% *  0.8401% (0.46   0.02   0.02) =   0.027%
          QD2   LEU   31 - HN    MET   96   8.04 +/- 0.58   5.232% *  0.2336% (0.13   0.02   0.02) =   0.013%
    Distance limit 4.38 A violated in 3 structures by 0.53 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.46 +/- 0.17 100.000% *100.0000% (0.87  10.0   3.86  73.51) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.61 +/- 0.11  99.937% * 99.8580% (0.98  10.0   4.19  73.51) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.85 +/- 1.07   0.061% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  21.94 +/- 0.66   0.002% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 45.7:
          HB    VAL  107 - HN    PHE   95   3.59 +/- 0.41  98.354% * 98.3882% (0.99   3.24  45.74) =  99.993%  kept
          HB3   PHE   45 - HN    PHE   95   7.48 +/- 0.38   1.500% *  0.4203% (0.69   0.02   1.89) =   0.007%
          QE    LYS+ 112 - HN    PHE   95  11.61 +/- 1.45   0.124% *  0.4203% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   95  15.94 +/- 0.69   0.016% *  0.2297% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  19.59 +/- 0.91   0.004% *  0.4203% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.06 +/- 0.65   0.002% *  0.1211% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.83, support = 4.14, residual support = 16.1:
          QG2   THR   94 - HN    PHE   95   2.82 +/- 0.26  80.849% * 79.1277% (0.87   4.12  14.33) =  94.435%  kept
          QG2   VAL  107 - HN    PHE   95   3.86 +/- 0.54  19.029% * 19.8079% (0.20   4.52  45.74) =   5.564%  kept
          HG13  ILE  103 - HN    PHE   95   9.45 +/- 0.91   0.084% *  0.2689% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  12.94 +/- 1.49   0.025% *  0.3976% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  13.67 +/- 1.51   0.009% *  0.2158% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  15.48 +/- 0.42   0.003% *  0.1822% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.3:
      O   HB    THR   94 - HN    THR   94   2.67 +/- 0.22  99.829% * 98.9931% (0.65  10.0   3.08  25.28) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   8.84 +/- 0.80   0.093% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.45 +/- 0.64   0.018% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  12.27 +/- 0.95   0.012% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.37 +/- 0.55   0.012% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  12.96 +/- 1.38   0.014% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  11.54 +/- 0.69   0.016% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  17.46 +/- 1.14   0.002% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.82 +/- 1.41   0.002% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.76 +/- 1.20   0.002% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  21.30 +/- 1.05   0.000% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.41 +/- 0.84   0.000% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.1:
          HB2   PHE   45 - HN    THR   94   2.88 +/- 0.83  99.845% * 98.8926% (0.95   2.96  27.08) =  99.999%  kept
          QE    LYS+ 111 - HN    THR   94  11.57 +/- 1.22   0.119% *  0.7071% (1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HN    THR   94  12.99 +/- 1.33   0.036% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.545, support = 1.48, residual support = 25.5:
          HB3   PHE   45 - HN    THR   94   4.36 +/- 0.84  81.227% * 72.7316% (0.57   1.50  27.08) =  94.169%  kept
          HB    VAL  107 - HN    THR   94   6.78 +/- 0.99  17.355% * 21.0185% (0.20   1.24   0.02) =   5.815%  kept
          HG3   MET   96 - HN    THR   94   9.65 +/- 0.56   0.808% *  0.4762% (0.28   0.02   1.78) =   0.006%
          QE    LYS+ 112 - HN    THR   94  11.94 +/- 1.63   0.386% *  0.9698% (0.57   0.02   0.02) =   0.006%
          HB3   ASP-  62 - HN    THR   94  13.64 +/- 1.10   0.141% *  1.1766% (0.69   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    THR   94  14.06 +/- 0.60   0.075% *  1.6977% (0.99   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    THR   94  21.79 +/- 0.74   0.006% *  1.6977% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  25.81 +/- 1.43   0.002% *  0.2318% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.73, residual support = 17.6:
      O   HB2   PRO   93 - HN    THR   94   3.12 +/- 0.12  97.751% * 99.5171% (0.98  10.0   4.73  17.57) =  99.999%  kept
          HB    VAL  108 - HN    THR   94   6.99 +/- 1.45   1.796% *  0.0697% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    THR   94   8.63 +/- 1.49   0.383% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  12.89 +/- 0.78   0.021% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  13.09 +/- 1.39   0.021% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  13.91 +/- 0.88   0.015% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  15.65 +/- 0.69   0.006% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  15.84 +/- 1.09   0.006% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.75 +/- 0.40   0.001% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  24.13 +/- 1.53   0.001% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  33.95 +/- 1.74   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.897, support = 3.03, residual support = 17.6:
      O   HB3   PRO   93 - HN    THR   94   3.62 +/- 0.07  93.177% * 99.0772% (0.90  10.0   3.03  17.57) =  99.995%  kept
          HB3   ASP-  44 - HN    THR   94   6.14 +/- 0.57   4.738% *  0.0538% (0.49   1.0   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    THR   94   7.59 +/- 0.91   1.400% *  0.0958% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    THR   94  11.05 +/- 0.46   0.119% *  0.0958% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  11.40 +/- 0.88   0.108% *  0.0715% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  11.28 +/- 1.32   0.139% *  0.0415% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.65 +/- 1.71   0.052% *  0.0844% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  11.11 +/- 1.41   0.140% *  0.0307% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  12.42 +/- 0.34   0.058% *  0.0625% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.34 +/- 1.10   0.041% *  0.0844% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.11 +/- 1.90   0.010% *  0.0625% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.07 +/- 1.05   0.003% *  0.0715% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.41 +/- 0.99   0.003% *  0.0759% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  17.55 +/- 0.92   0.008% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  20.99 +/- 0.87   0.003% *  0.0538% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.75 +/- 1.69   0.001% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.344, support = 3.49, residual support = 25.1:
          QG2   THR   94 - HN    THR   94   3.77 +/- 0.14  98.014% * 65.5735% (0.34   3.52  25.28) =  99.193%  kept
          HG12  ILE   89 - HN    THR   94   7.69 +/- 0.52   1.661% * 31.3373% (0.76   0.75   5.50) =   0.803%  kept
          HG3   LYS+ 111 - HN    THR   94  11.32 +/- 0.68   0.147% *  0.9133% (0.84   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - HN    THR   94  14.10 +/- 1.78   0.075% *  0.7940% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    THR   94  13.79 +/- 1.78   0.079% *  0.3375% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  16.78 +/- 0.61   0.013% *  0.8756% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.51 +/- 1.10   0.011% *  0.1687% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 5.5:
          QG2   ILE   89 - HN    THR   94   4.29 +/- 0.72  99.650% * 99.1801% (0.90   0.75   5.50) =  99.997%  kept
          QG1   VAL   83 - HN    THR   94  11.97 +/- 0.51   0.350% *  0.8199% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.47 A violated in 3 structures by 0.24 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.186, support = 3.52, residual support = 57.7:
          HG3   MET   92 - HN    MET   92   3.94 +/- 0.57  92.747% * 45.6583% (0.14   3.74  61.98) =  93.022%  kept
          QG    GLN   90 - HN    MET   92   6.51 +/- 0.62   7.092% * 44.7563% (0.87   0.57   0.02) =   6.973%  kept
          HB2   ASP-  44 - HN    MET   92  12.68 +/- 0.72   0.109% *  1.7666% (0.98   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    MET   92  15.59 +/- 1.14   0.031% *  0.9482% (0.53   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    MET   92  17.86 +/- 1.05   0.014% *  1.6637% (0.92   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   92  24.62 +/- 1.19   0.002% *  1.8023% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  25.72 +/- 1.49   0.002% *  1.7393% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  23.81 +/- 0.80   0.002% *  0.3567% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  34.46 +/- 1.90   0.000% *  1.3087% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.09 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 62.0:
      O   HB2   MET   92 - HN    MET   92   2.56 +/- 0.36  99.412% * 99.5386% (1.00  10.0   3.65  61.98) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.68 +/- 0.42   0.499% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.77 +/- 2.15   0.037% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  10.73 +/- 0.41   0.027% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  11.04 +/- 0.88   0.023% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.77 +/- 1.11   0.001% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  20.06 +/- 0.79   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.58 +/- 0.36   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  23.09 +/- 0.78   0.000% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  28.91 +/- 1.32   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  38.93 +/- 2.22   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.01, residual support = 62.0:
      O   HB3   MET   92 - HN    MET   92   3.60 +/- 0.19  96.918% * 99.1115% (0.57  10.0   4.01  61.98) =  99.998%  kept
          HG3   PRO   93 - HN    MET   92   7.04 +/- 0.08   1.817% *  0.0346% (0.20   1.0   0.02   1.82) =   0.001%
          QG1   ILE   56 - HN    MET   92  10.24 +/- 1.60   0.281% *  0.1338% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    MET   92   8.21 +/- 0.63   0.791% *  0.0437% (0.25   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  12.11 +/- 0.69   0.076% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  12.29 +/- 1.55   0.100% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  16.55 +/- 0.69   0.011% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  22.50 +/- 0.56   0.002% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  22.88 +/- 0.45   0.002% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  23.23 +/- 2.43   0.003% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.03, residual support = 8.94:
          QB    ALA   91 - HN    MET   92   3.10 +/- 0.25  99.621% * 96.1552% (1.00   3.03   8.94) =  99.998%  kept
          QG2   ILE   56 - HN    MET   92   8.64 +/- 1.68   0.346% *  0.4369% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    MET   92  12.96 +/- 0.95   0.023% *  0.4115% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  21.14 +/- 0.60   0.001% *  0.6347% (1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  19.43 +/- 0.43   0.002% *  0.3096% (0.49   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  16.86 +/- 0.71   0.004% *  0.1259% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  21.79 +/- 1.18   0.001% *  0.5518% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  22.89 +/- 1.15   0.001% *  0.3858% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  25.17 +/- 0.40   0.000% *  0.4369% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  30.26 +/- 1.00   0.000% *  0.5518% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.95:
          HA    ILE   89 - HN    ALA   91   3.39 +/- 0.26  99.806% * 96.1995% (0.61   2.49   7.95) = 100.000%  kept
          HB    THR  118 - HN    ALA   91  14.96 +/- 0.77   0.014% *  1.2058% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  13.58 +/- 0.55   0.026% *  0.2232% (0.18   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  11.78 +/- 1.59   0.110% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  15.79 +/- 0.54   0.011% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  15.27 +/- 1.12   0.014% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.91 +/- 0.59   0.010% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  24.51 +/- 0.80   0.001% *  0.5715% (0.45   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  18.27 +/- 1.63   0.005% *  0.0647% (0.05   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  27.46 +/- 0.69   0.000% *  0.7731% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  22.78 +/- 1.38   0.001% *  0.1490% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  29.89 +/- 1.12   0.000% *  0.5240% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.719, support = 4.96, residual support = 32.2:
          HB2   GLN   90 - HN    ALA   91   4.11 +/- 0.40  62.647% * 95.7343% (0.73   4.97  32.54) =  99.014%  kept
          HB2   GLU-  25 - HN    TRP   27   4.86 +/- 0.10  24.304% *  2.4344% (0.02   3.75   0.39) =   0.977%  kept
          HG3   GLU-  29 - HN    TRP   27   6.38 +/- 0.54   5.602% *  0.0588% (0.11   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    TRP   27   6.27 +/- 0.59   6.416% *  0.0345% (0.07   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    TRP   27   8.81 +/- 1.00   0.918% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   91  14.47 +/- 0.78   0.034% *  0.1050% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.27 +/- 0.41   0.058% *  0.0163% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  24.00 +/- 0.78   0.002% *  0.4758% (0.90   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  23.65 +/- 0.89   0.002% *  0.2791% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  18.57 +/- 1.24   0.008% *  0.0476% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.69 +/- 0.31   0.005% *  0.0620% (0.12   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  21.88 +/- 0.76   0.003% *  0.1050% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  28.96 +/- 0.43   0.001% *  0.5019% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  25.56 +/- 0.59   0.001% *  0.1323% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.991, support = 4.97, residual support = 32.5:
          HB3   GLN   90 - HN    ALA   91   3.60 +/- 0.39  82.486% * 96.1768% (0.99   4.97  32.54) =  99.991%  kept
          HB2   MET   92 - HN    ALA   91   6.03 +/- 0.27   4.304% *  0.0603% (0.15   0.02   8.94) =   0.003%
          QB    LYS+ 106 - HN    ALA   91   9.06 +/- 0.60   0.397% *  0.3694% (0.95   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    TRP   27   5.17 +/- 0.40  11.898% *  0.0120% (0.03   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   91  10.07 +/- 0.75   0.211% *  0.3768% (0.97   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    ALA   91  10.56 +/- 2.05   0.235% *  0.0974% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.59 +/- 0.56   0.275% *  0.0482% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  13.72 +/- 2.52   0.049% *  0.2211% (0.57   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  15.72 +/- 0.84   0.014% *  0.3694% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  15.87 +/- 0.57   0.013% *  0.3828% (0.98   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  16.47 +/- 1.18   0.011% *  0.3768% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  12.23 +/- 0.58   0.060% *  0.0466% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  22.24 +/- 0.67   0.002% *  0.3905% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.16 +/- 0.54   0.011% *  0.0456% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  19.11 +/- 0.69   0.004% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  19.07 +/- 1.53   0.005% *  0.0478% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  26.49 +/- 1.98   0.001% *  0.3605% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.99 +/- 0.82   0.004% *  0.0456% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  23.58 +/- 1.85   0.001% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.99 +/- 1.00   0.002% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  23.76 +/- 2.61   0.002% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  28.00 +/- 0.48   0.000% *  0.1605% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.85 +/- 0.35   0.003% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  22.80 +/- 1.21   0.001% *  0.0445% (0.11   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  17.57 +/- 0.74   0.007% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.48 +/- 1.15   0.002% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.41 +/- 0.84   0.001% *  0.0120% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  27.87 +/- 1.27   0.000% *  0.0120% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.07 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.08, residual support = 12.9:
      O   QB    ALA   91 - HN    ALA   91   2.32 +/- 0.14  98.556% * 99.2924% (0.92  10.0   3.08  12.93) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   5.21 +/- 0.68   1.376% *  0.0055% (0.05   1.0   0.02   1.99) =   0.000%
          QG2   ILE   56 - HN    ALA   91  11.07 +/- 2.04   0.013% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27  10.08 +/- 0.29   0.016% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.59 +/- 0.62   0.012% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  14.30 +/- 0.77   0.002% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  10.78 +/- 0.55   0.011% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  13.52 +/- 0.93   0.003% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  18.28 +/- 0.34   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  16.67 +/- 0.88   0.001% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  11.73 +/- 0.99   0.007% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  20.58 +/- 0.56   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  22.20 +/- 0.93   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  17.59 +/- 1.91   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  17.17 +/- 0.59   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.23 +/- 0.95   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  23.45 +/- 0.70   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.61 +/- 0.50   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  28.41 +/- 1.14   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  20.10 +/- 1.00   0.000% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 158.8:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.990% * 99.2019% (0.18  10.0   5.16 158.76) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.19 +/- 1.27   0.009% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  21.44 +/- 1.22   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.25 +/- 0.18  99.912% * 99.3899% (0.61  10.0   3.13  12.50) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  11.45 +/- 1.47   0.062% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  14.33 +/- 1.58   0.015% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  19.86 +/- 1.54   0.002% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  19.59 +/- 1.39   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.90 +/- 2.05   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  20.53 +/- 1.37   0.002% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    LYS+ 102  24.49 +/- 1.12   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  19.86 +/- 1.63   0.002% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.08 +/- 0.60  99.993% * 99.6785% (0.28  10.0   3.13  12.50) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.73 +/- 1.42   0.006% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.64 +/- 0.58   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.01, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.776, support = 0.02, residual support = 0.02:
          QB    GLU- 114 - HN    LYS+ 102  17.20 +/- 1.39  16.434% * 12.0512% (0.84   0.02   0.02) =  19.723%  kept
          QB    GLU-  15 - HN    LYS+ 102  17.52 +/- 1.30  14.280% * 13.6482% (0.95   0.02   0.02) =  19.408%  kept
          HG2   PRO   68 - HN    LYS+ 102  16.88 +/- 2.15  19.419% *  9.9106% (0.69   0.02   0.02) =  19.165%  kept
          HB    ILE   19 - HN    LYS+ 102  17.79 +/- 1.39  12.456% * 11.0262% (0.76   0.02   0.02) =  13.678%  kept
          HB3   PRO   68 - HN    LYS+ 102  18.68 +/- 1.54   9.488% *  8.7509% (0.61   0.02   0.02) =   8.268%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.80 +/- 1.67  18.160% *  3.5976% (0.25   0.02   0.02) =   6.506%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.37 +/- 2.04   3.834% * 12.9393% (0.90   0.02   0.02) =   4.940%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.29 +/- 1.60   3.258% * 14.4279% (1.00   0.02   0.02) =   4.681%  kept
          HB2   GLN   17 - HN    LYS+ 102  23.00 +/- 1.13   2.671% * 13.6482% (0.95   0.02   0.02) =   3.631%  kept
    Distance limit 4.38 A violated in 20 structures by 8.12 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.63, residual support = 158.8:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.60 +/- 0.09  98.788% * 99.4444% (0.98  10.0   4.63 158.76) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.02 +/- 0.60   0.769% *  0.0455% (0.45   1.0   0.02  22.39) =   0.000%
          HB    VAL   41 - HN    LYS+ 102   7.20 +/- 1.37   0.425% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  11.82 +/- 1.47   0.015% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  16.51 +/- 0.98   0.002% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.23 +/- 0.88   0.000% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  21.75 +/- 0.66   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  20.62 +/- 3.17   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  23.29 +/- 1.24   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.02 +/- 1.24   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 3.83, residual support = 113.8:
          HG2   LYS+ 102 - HN    LYS+ 102   3.60 +/- 0.51  57.066% * 60.2629% (0.28   4.42 158.76) =  71.193%  kept
          QB    LEU   98 - HN    LYS+ 102   3.90 +/- 0.91  42.861% * 32.4658% (0.28   2.38   2.57) =  28.806%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  15.03 +/- 4.33   0.025% *  0.5557% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  16.89 +/- 2.46   0.010% *  0.7502% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  13.81 +/- 1.32   0.019% *  0.3684% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  17.98 +/- 2.09   0.004% *  0.9794% (1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  17.53 +/- 1.64   0.007% *  0.5557% (0.57   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.96 +/- 1.09   0.002% *  0.9794% (1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  20.06 +/- 1.72   0.002% *  0.9729% (0.99   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  20.07 +/- 0.90   0.002% *  0.8803% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  20.35 +/- 1.53   0.002% *  0.7128% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.58 +/- 1.19   0.002% *  0.5164% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.05 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.42, support = 1.97, residual support = 1.75:
          QD1   LEU   98 - HN    LYS+ 102   4.65 +/- 1.16  36.994% * 66.7072% (0.18   2.82   2.57) =  67.785%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.35 +/- 0.77  48.583% * 23.8588% (0.95   0.19   0.02) =  31.839%  kept
          QG1   VAL   41 - HN    LYS+ 102   5.77 +/- 1.34  13.624% *  0.9203% (0.34   0.02   0.02) =   0.344%
          QG1   VAL   43 - HN    LYS+ 102   8.59 +/- 1.00   0.761% *  1.4195% (0.53   0.02   0.02) =   0.030%
          QD1   ILE   19 - HN    LYS+ 102  15.41 +/- 1.61   0.023% *  2.6920% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LYS+ 102  17.35 +/- 1.15   0.010% *  2.0619% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  18.91 +/- 0.89   0.006% *  2.3403% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.19, residual support = 37.0:
      O   HA    ILE   89 - HN    GLN   90   2.49 +/- 0.27  99.981% * 99.5753% (0.61  10.0   6.19  37.03) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  11.98 +/- 0.71   0.016% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  15.74 +/- 0.71   0.002% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  23.77 +/- 1.17   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  26.57 +/- 0.96   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  29.41 +/- 1.55   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.67, residual support = 89.6:
          QG    GLN   90 - HN    GLN   90   2.34 +/- 0.62  99.302% * 97.8057% (0.90   5.67  89.59) =  99.998%  kept
          HG3   MET   92 - HN    GLN   90   6.66 +/- 0.68   0.666% *  0.2334% (0.61   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLN   90  13.29 +/- 1.31   0.024% *  0.2794% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  18.37 +/- 1.31   0.002% *  0.3214% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  17.52 +/- 0.73   0.002% *  0.3813% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  15.62 +/- 0.70   0.003% *  0.0959% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  21.49 +/- 1.17   0.001% *  0.2794% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  25.82 +/- 1.42   0.000% *  0.2940% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  24.62 +/- 1.09   0.000% *  0.2334% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  33.86 +/- 2.27   0.000% *  0.0761% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.58, residual support = 89.6:
      O   HB3   GLN   90 - HN    GLN   90   3.40 +/- 0.43  97.516% * 99.1031% (0.92  10.0   5.58  89.59) =  99.998%  kept
          HB2   MET   92 - HN    GLN   90   7.23 +/- 0.62   1.718% *  0.0403% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   90   9.25 +/- 0.90   0.363% *  0.1036% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   90   9.06 +/- 0.46   0.337% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  15.12 +/- 2.16   0.019% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  14.88 +/- 0.87   0.018% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  15.99 +/- 0.66   0.012% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  17.89 +/- 1.33   0.006% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  18.06 +/- 1.19   0.006% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  21.33 +/- 1.04   0.002% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  26.53 +/- 2.25   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  21.83 +/- 1.06   0.002% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.11 +/- 0.49   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.04, residual support = 37.0:
          QG2   ILE   89 - HN    GLN   90   3.12 +/- 0.85 100.000% *100.0000% (0.65   7.04  37.03) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 5.64, residual support = 37.0:
          QD1   ILE   89 - HN    GLN   90   4.31 +/- 0.25  95.521% * 99.5263% (0.49   5.64  37.03) =  99.992%  kept
          QG2   VAL   83 - HN    GLN   90   8.39 +/- 0.99   2.846% *  0.1809% (0.25   0.02   0.02) =   0.005%
          QG2   VAL   75 - HN    GLN   90   9.29 +/- 1.19   1.538% *  0.1809% (0.25   0.02   0.02) =   0.003%
          QG2   VAL   42 - HN    GLN   90  14.05 +/- 0.86   0.094% *  0.1119% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.10 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.12, residual support = 7.36:
      O   HA    ALA   88 - HN    ILE   89   3.13 +/- 0.23  95.331% * 99.4024% (0.99  10.0   4.12   7.36) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   5.28 +/- 0.66   4.565% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ILE   89  10.24 +/- 0.73   0.080% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  15.27 +/- 1.19   0.008% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  16.21 +/- 1.03   0.006% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  19.55 +/- 0.87   0.002% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  18.80 +/- 0.71   0.002% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  19.55 +/- 0.66   0.002% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  22.43 +/- 0.63   0.001% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  20.88 +/- 1.27   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  20.83 +/- 0.57   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  24.92 +/- 1.20   0.000% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  26.75 +/- 1.00   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.05 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.0, residual support = 213.9:
      O   HA    ILE   89 - HN    ILE   89   2.79 +/- 0.14  99.995% * 99.5011% (0.34  10.0   6.00 213.94) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  16.73 +/- 1.39   0.002% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  17.35 +/- 0.93   0.002% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  21.60 +/- 0.88   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  24.14 +/- 0.69   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  27.93 +/- 1.36   0.000% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 213.9:
      O   HB    ILE   89 - HN    ILE   89   2.51 +/- 0.30  99.905% * 99.6919% (0.45  10.0   5.57 213.94) = 100.000%  kept
          HB    VAL   43 - HN    ILE   89   8.95 +/- 0.49   0.059% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ILE   89  10.40 +/- 0.83   0.035% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  18.72 +/- 0.65   0.001% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 213.9:
          HG12  ILE   89 - HN    ILE   89   2.24 +/- 0.55  99.767% * 97.8996% (0.76   5.72 213.94) = 100.000%  kept
          QB    ALA   91 - HN    ILE   89   6.97 +/- 0.42   0.225% *  0.1383% (0.31   0.02   7.95) =   0.000%
          HG2   LYS+  74 - HN    ILE   89  14.12 +/- 0.61   0.004% *  0.3888% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  16.47 +/- 0.96   0.001% *  0.3079% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  19.42 +/- 1.03   0.001% *  0.4020% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  20.65 +/- 0.57   0.000% *  0.3744% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  20.32 +/- 0.66   0.000% *  0.2900% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  18.42 +/- 0.64   0.001% *  0.1383% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  24.60 +/- 1.00   0.000% *  0.0607% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 213.9:
          QG2   ILE   89 - HN    ILE   89   3.69 +/- 0.09  98.787% * 99.7839% (1.00   6.28 213.94) =  99.998%  kept
          QG1   VAL   83 - HN    ILE   89   7.79 +/- 0.52   1.194% *  0.1671% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ILE   89  15.49 +/- 0.76   0.019% *  0.0490% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.52, residual support = 213.9:
          HG13  ILE   89 - HN    ILE   89   3.54 +/- 0.47 100.000% *100.0000% (0.90   5.52 213.94) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.3:
      O   HA    ALA   88 - HN    ALA   88   2.22 +/- 0.01  99.983% * 99.0917% (0.84  10.0   1.63  11.31) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.70 +/- 0.48   0.015% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  18.29 +/- 1.10   0.000% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  17.70 +/- 1.18   0.000% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  18.69 +/- 0.64   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  19.26 +/- 0.94   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  21.18 +/- 0.59   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  22.56 +/- 0.65   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  21.85 +/- 0.58   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  22.84 +/- 1.26   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 1.89, residual support = 11.3:
      O   QB    ALA   88 - HN    ALA   88   2.90 +/- 0.06  95.832% * 99.0695% (0.73  10.0   1.89  11.31) =  99.999%  kept
          QB    ALA   84 - HN    ALA   88   5.03 +/- 0.29   3.845% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    ALA   88   9.24 +/- 0.46   0.097% *  0.0992% (0.69   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   88   8.54 +/- 0.87   0.194% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  15.35 +/- 0.74   0.005% *  0.1207% (0.84   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  12.68 +/- 1.25   0.017% *  0.0322% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  14.67 +/- 0.46   0.006% *  0.0648% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  18.02 +/- 1.43   0.002% *  0.1296% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  20.82 +/- 0.72   0.001% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  20.47 +/- 0.63   0.001% *  0.0818% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  24.33 +/- 0.88   0.000% *  0.1416% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  25.73 +/- 1.03   0.000% *  0.0446% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 70.4:
      O   HB2   TRP   87 - HN    TRP   87   3.68 +/- 0.03  99.966% * 99.8429% (0.73  10.0   3.84  70.42) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  14.61 +/- 0.57   0.027% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  19.15 +/- 1.31   0.005% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  22.37 +/- 1.75   0.002% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.95, residual support = 22.5:
          HB2   ASP-  86 - HN    TRP   87   2.66 +/- 0.08  99.982% * 97.4864% (0.80   3.95  22.51) = 100.000%  kept
          HB2   ASN   28 - HN    TRP   87  13.51 +/- 0.74   0.006% *  0.6170% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    TRP   87  14.76 +/- 0.41   0.004% *  0.3246% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  13.22 +/- 0.35   0.007% *  0.0952% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  19.34 +/- 1.23   0.001% *  0.6048% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  18.81 +/- 1.25   0.001% *  0.2766% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  24.25 +/- 1.26   0.000% *  0.5954% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 70.4:
      O   HB3   TRP   87 - HN    TRP   87   3.02 +/- 0.09  99.993% * 99.8532% (1.00  10.0   3.71  70.42) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  15.08 +/- 0.88   0.007% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  24.72 +/- 2.00   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.24, residual support = 5.14:
          QB    ALA   88 - HN    TRP   87   4.48 +/- 0.06  96.273% * 96.6901% (0.53   2.25   5.15) =  99.944%  kept
          QG2   THR   77 - HN    TRP   87   7.99 +/- 0.74   3.460% *  1.4677% (0.90   0.02   0.02) =   0.055%
          QG2   THR   23 - HN    TRP   87  13.37 +/- 0.65   0.143% *  0.8610% (0.53   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    TRP   87  14.04 +/- 0.36   0.104% *  0.3643% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  19.60 +/- 0.68   0.014% *  0.2525% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  22.71 +/- 0.83   0.006% *  0.3643% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.09 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.805, support = 1.95, residual support = 16.2:
          QD1   ILE   89 - HN    TRP   87   4.17 +/- 0.16  53.144% * 77.1182% (0.76   2.31  17.88) =  79.901%  kept
          QG2   VAL   83 - HN    TRP   87   4.27 +/- 0.28  46.588% * 22.1254% (0.97   0.53   9.48) =  20.095%  kept
          QD2   LEU   31 - HN    TRP   87  10.23 +/- 0.60   0.268% *  0.7564% (0.87   0.02   1.92) =   0.004%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.45, support = 0.862, residual support = 9.53:
          QG2   VAL   83 - HE1   TRP   87   1.79 +/- 0.07  99.784% * 24.5427% (0.45   0.86   9.48) =  99.340%  kept
          QD1   ILE   89 - HE1   TRP   87   5.06 +/- 0.37   0.216% * 75.4573% (0.73   1.63  17.88) =   0.660%  kept
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.32, residual support = 13.4:
          QB    SER   85 - HN    ASP-  86   2.99 +/- 0.04  95.388% * 83.9921% (0.76   3.33  13.43) =  99.441%  kept
          HA    ALA   88 - HN    ASP-  86   5.21 +/- 0.13   3.463% * 12.9657% (0.69   0.57   0.02) =   0.557%  kept
          HB2   SER   82 - HN    ASP-  86   6.47 +/- 0.50   1.081% *  0.1018% (0.15   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ASP-  86  10.49 +/- 0.50   0.054% *  0.1018% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.43 +/- 1.04   0.002% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  17.91 +/- 0.96   0.002% *  0.4789% (0.73   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  15.21 +/- 1.02   0.006% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  17.48 +/- 1.12   0.003% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  27.18 +/- 1.21   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  27.88 +/- 0.95   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  27.19 +/- 0.91   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.7:
          HA    VAL   83 - HN    ASP-  86   3.02 +/- 0.12  99.992% * 95.3190% (0.61   2.25  10.73) = 100.000%  kept
          HB2   CYSS  53 - HN    ASP-  86  18.43 +/- 1.06   0.002% *  1.3482% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  17.40 +/- 0.55   0.003% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.16 +/- 1.36   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  19.99 +/- 0.78   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  24.82 +/- 1.50   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.06, residual support = 41.9:
      O   HB2   ASP-  86 - HN    ASP-  86   2.60 +/- 0.12  99.988% * 99.6258% (0.98  10.0   5.06  41.91) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  13.18 +/- 0.76   0.006% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.94 +/- 0.43   0.004% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  20.06 +/- 1.36   0.001% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  19.75 +/- 1.26   0.001% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  25.73 +/- 1.45   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.9:
      O   HB3   ASP-  86 - HN    ASP-  86   2.96 +/- 0.64  99.934% * 99.2823% (0.41  10.0   3.56  41.91) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  11.36 +/- 0.76   0.061% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  17.47 +/- 0.99   0.004% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  24.10 +/- 0.85   0.001% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  25.00 +/- 0.73   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.2:
      O   QB    SER   85 - HN    SER   85   2.17 +/- 0.04  99.056% * 99.3113% (0.76  10.0   3.15  18.15) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   5.20 +/- 0.28   0.562% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.58 +/- 0.30   0.367% *  0.0201% (0.15   1.0   0.02   2.96) =   0.000%
          HB    THR   94 - HN    SER   85   9.93 +/- 0.62   0.012% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.74 +/- 1.13   0.001% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  13.44 +/- 1.04   0.002% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  15.69 +/- 1.13   0.001% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  19.79 +/- 0.86   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  27.41 +/- 1.21   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  28.43 +/- 0.85   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  27.59 +/- 1.14   0.000% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.60 +/- 0.02  99.850% * 99.3529% (0.49  10.0   3.27  20.74) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  11.05 +/- 0.50   0.124% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  16.17 +/- 1.69   0.015% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  18.28 +/- 0.86   0.006% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  22.31 +/- 1.16   0.002% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  23.62 +/- 1.19   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  23.11 +/- 1.46   0.002% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 3.87, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.73 +/- 0.08  99.198% * 95.9099% (1.00   3.87  20.74) =  99.998%  kept
          HB3   LEU   80 - HN    SER   85   6.28 +/- 0.44   0.777% *  0.2615% (0.53   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    SER   85  14.94 +/- 1.17   0.004% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  15.35 +/- 1.17   0.004% *  0.4797% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  14.81 +/- 0.50   0.004% *  0.3798% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  14.38 +/- 0.74   0.005% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  16.17 +/- 0.91   0.002% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  15.87 +/- 0.75   0.003% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  18.41 +/- 0.40   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  21.68 +/- 0.61   0.000% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  21.12 +/- 1.42   0.001% *  0.2043% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  20.29 +/- 1.29   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  24.70 +/- 1.67   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  27.73 +/- 1.29   0.000% *  0.4457% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  22.46 +/- 1.31   0.000% *  0.1239% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  27.39 +/- 1.56   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 4.02, residual support = 18.4:
      O   HA    ALA   84 - HN    ALA   84   2.77 +/- 0.03  99.868% * 99.3529% (0.49  10.0   4.02  18.42) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84   8.51 +/- 0.47   0.126% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  17.20 +/- 0.69   0.002% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  16.45 +/- 1.54   0.003% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  22.82 +/- 1.04   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  22.03 +/- 1.06   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.92 +/- 1.29   0.000% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 43.0:
          HB    VAL   83 - HN    ALA   84   3.00 +/- 0.13  99.935% * 97.8538% (0.99   5.34  43.04) = 100.000%  kept
          HB3   MET   92 - HN    ALA   84  11.53 +/- 1.23   0.040% *  0.0647% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA   84  13.99 +/- 1.19   0.012% *  0.1520% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.81 +/- 0.91   0.005% *  0.1945% (0.53   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  18.50 +/- 1.67   0.002% *  0.2684% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  23.67 +/- 1.07   0.000% *  0.3664% (0.99   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  17.88 +/- 1.42   0.003% *  0.0647% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  23.70 +/- 0.97   0.000% *  0.3497% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  24.31 +/- 1.46   0.000% *  0.3567% (0.97   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  22.06 +/- 1.11   0.001% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.02 +/- 0.86   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  28.43 +/- 1.37   0.000% *  0.1799% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 18.4:
      O   QB    ALA   84 - HN    ALA   84   2.01 +/- 0.04  96.136% * 99.0428% (0.87  10.0   4.25  18.42) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   3.66 +/- 0.49   3.857% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   84  12.34 +/- 0.70   0.002% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  13.86 +/- 1.13   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.08 +/- 0.46   0.001% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  14.90 +/- 1.11   0.001% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  16.40 +/- 0.81   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.93 +/- 0.43   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  14.55 +/- 0.77   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  21.38 +/- 1.25   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  20.69 +/- 1.38   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  20.32 +/- 0.72   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.39 +/- 1.58   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  25.60 +/- 1.71   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.05 +/- 1.33   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  25.57 +/- 2.27   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 5.9, residual support = 42.4:
          QG1   VAL   83 - HN    ALA   84   4.11 +/- 0.14  79.079% * 93.4695% (0.69   5.98  43.04) =  98.593%  kept
          QD2   LEU   80 - HN    ALA   84   5.23 +/- 0.39  20.643% *  5.1045% (0.95   0.24   0.02) =   1.406%  kept
          QD1   LEU   73 - HN    ALA   84  11.08 +/- 0.69   0.225% *  0.2760% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   84  15.29 +/- 0.66   0.032% *  0.2760% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  18.24 +/- 0.77   0.011% *  0.4540% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  18.93 +/- 1.65   0.010% *  0.4201% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.43, residual support = 43.0:
          QG2   VAL   83 - HN    ALA   84   3.41 +/- 0.38  96.443% * 99.3105% (0.76   6.43  43.04) =  99.993%  kept
          QD1   ILE   89 - HN    ALA   84   6.50 +/- 0.35   2.556% *  0.1966% (0.49   0.02  12.31) =   0.005%
          QG2   VAL   43 - HN    ALA   84   7.65 +/- 0.36   0.895% *  0.0899% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   31 - HN    ALA   84  11.01 +/- 0.84   0.106% *  0.4030% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 20.2:
          HB2   SER   82 - HN    VAL   83   3.46 +/- 0.18  99.669% * 97.0131% (0.75   4.10  20.17) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   9.31 +/- 0.33   0.280% *  0.2678% (0.43   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   83  15.14 +/- 0.92   0.015% *  0.4636% (0.74   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   83  15.05 +/- 1.08   0.017% *  0.3787% (0.60   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  19.52 +/- 0.93   0.003% *  0.4688% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  17.81 +/- 1.01   0.006% *  0.2488% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  20.73 +/- 1.02   0.002% *  0.4242% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  17.96 +/- 0.91   0.005% *  0.1613% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  22.65 +/- 0.74   0.001% *  0.2869% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  26.58 +/- 1.42   0.001% *  0.2869% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.7, residual support = 87.3:
      O   HA    VAL   83 - HN    VAL   83   2.76 +/- 0.02  99.994% * 99.4506% (0.46  10.0   4.70  87.34) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  16.13 +/- 0.96   0.003% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    VAL   83  17.79 +/- 0.98   0.001% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  18.81 +/- 1.16   0.001% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  21.84 +/- 0.78   0.000% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  24.83 +/- 1.29   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.77, residual support = 87.3:
      O   HB    VAL   83 - HN    VAL   83   2.26 +/- 0.17  99.995% * 99.4176% (0.75  10.0   4.77  87.34) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  15.10 +/- 1.19   0.001% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  13.90 +/- 1.18   0.002% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  19.31 +/- 1.77   0.000% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  18.16 +/- 0.91   0.000% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  23.82 +/- 1.28   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  19.49 +/- 1.45   0.000% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  25.54 +/- 1.80   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.71 +/- 1.23   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.66 +/- 1.09   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.62 +/- 0.87   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  30.35 +/- 1.46   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.19, support = 0.0199, residual support = 0.0199:
          HB2   LEU   80 - HN    VAL   83   4.15 +/- 0.74  99.501% *  2.8578% (0.19   0.02   0.02) =  98.710%  kept
          HB3   LEU   73 - HN    VAL   83  12.88 +/- 0.91   0.176% *  9.9416% (0.65   0.02   0.02) =   0.606%  kept
          HB3   LYS+  74 - HN    VAL   83  13.78 +/- 0.80   0.122% *  4.7118% (0.31   0.02   0.02) =   0.199%
          QB    LEU   98 - HN    VAL   83  15.15 +/- 0.74   0.072% *  7.8727% (0.52   0.02   0.02) =   0.198%
          HB    VAL   42 - HN    VAL   83  18.00 +/- 0.75   0.025% * 10.5799% (0.70   0.02   0.02) =   0.092%
          HG3   LYS+ 106 - HN    VAL   83  18.39 +/- 0.84   0.020% *  7.4142% (0.49   0.02   0.02) =   0.053%
          HG3   LYS+  33 - HN    VAL   83  20.40 +/- 1.54   0.013% * 11.0607% (0.73   0.02   0.02) =   0.051%
          HB3   PRO   93 - HN    VAL   83  16.14 +/- 1.09   0.052% *  1.7684% (0.12   0.02   0.02) =   0.032%
          HG3   LYS+ 102 - HN    VAL   83  22.26 +/- 1.33   0.007% *  9.5730% (0.63   0.02   0.02) =   0.023%
          QB    ALA   12 - HN    VAL   83  25.22 +/- 2.57   0.004% * 10.5799% (0.70   0.02   0.02) =   0.017%
          HG3   LYS+  65 - HN    VAL   83  27.04 +/- 1.95   0.002% * 10.5799% (0.70   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - HN    VAL   83  26.89 +/- 1.57   0.002% *  8.7588% (0.58   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HN    VAL   83  26.05 +/- 1.60   0.002% *  4.3014% (0.28   0.02   0.02) =   0.004%
    Distance limit 3.75 A violated in 7 structures by 0.53 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.745, support = 5.31, residual support = 87.0:
          QG1   VAL   83 - HN    VAL   83   2.42 +/- 0.36  93.737% * 93.9752% (0.75   5.33  87.34) =  99.624%  kept
          QD2   LEU   80 - HN    VAL   83   4.69 +/- 0.72   6.092% *  5.4458% (0.31   0.75   0.02) =   0.375%
          QG2   ILE   89 - HN    VAL   83   7.49 +/- 0.55   0.170% *  0.2156% (0.46   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  19.34 +/- 0.89   0.000% *  0.2300% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  20.84 +/- 1.62   0.000% *  0.1334% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.29, residual support = 87.3:
          QG2   VAL   83 - HN    VAL   83   3.61 +/- 0.15  99.166% * 99.3977% (0.74   5.29  87.34) =  99.997%  kept
          QD1   ILE   89 - HN    VAL   83   8.38 +/- 0.50   0.688% *  0.3699% (0.73   0.02   0.02) =   0.003%
          QD2   LEU   31 - HN    VAL   83  11.04 +/- 1.15   0.145% *  0.2324% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.04, residual support = 33.4:
      O   HB2   SER   82 - HN    SER   82   2.42 +/- 0.57  99.947% * 99.3063% (0.87  10.0   4.04  33.44) = 100.000%  kept
          HA    ALA   88 - HN    SER   82  10.12 +/- 0.31   0.041% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  14.22 +/- 1.08   0.007% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  17.21 +/- 0.98   0.001% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  20.95 +/- 0.77   0.001% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  22.96 +/- 1.00   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  17.48 +/- 0.96   0.002% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.75 +/- 0.54   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  20.18 +/- 1.01   0.001% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  27.67 +/- 1.65   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  26.97 +/- 0.92   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.43, residual support = 33.4:
      O   HB3   SER   82 - HN    SER   82   2.85 +/- 0.22  99.962% * 99.2682% (0.69  10.0   3.43  33.44) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  10.98 +/- 0.31   0.033% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  18.19 +/- 1.19   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  18.16 +/- 0.93   0.002% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  24.60 +/- 1.05   0.000% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  24.10 +/- 1.00   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  26.14 +/- 0.79   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  28.09 +/- 1.59   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.38, residual support = 11.9:
          QB    LYS+  81 - HN    SER   82   2.74 +/- 0.23  99.944% * 96.2128% (0.97   4.38  11.89) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  11.14 +/- 1.17   0.036% *  0.4206% (0.92   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  13.29 +/- 1.20   0.011% *  0.1710% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  16.21 +/- 0.65   0.003% *  0.4466% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  15.49 +/- 0.94   0.004% *  0.2397% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  19.36 +/- 1.04   0.001% *  0.3952% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  20.51 +/- 0.98   0.001% *  0.3130% (0.69   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  22.34 +/- 2.00   0.000% *  0.3952% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  22.66 +/- 1.51   0.000% *  0.3308% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  23.44 +/- 0.69   0.000% *  0.3482% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  28.41 +/- 0.79   0.000% *  0.3308% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  30.44 +/- 1.57   0.000% *  0.2947% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  27.78 +/- 1.02   0.000% *  0.1014% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.933, support = 4.36, residual support = 19.1:
          QG1   VAL   83 - HN    SER   82   4.37 +/- 0.41  77.893% * 81.8703% (0.95   4.52  20.17) =  94.893%  kept
          QD2   LEU   80 - HN    SER   82   5.86 +/- 0.71  19.970% * 17.1722% (0.69   1.31   0.02) =   5.103%  kept
          QG2   ILE   89 - HN    SER   82   8.18 +/- 0.41   1.996% *  0.1305% (0.34   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    SER   82  13.18 +/- 0.81   0.113% *  0.1181% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  21.19 +/- 0.78   0.006% *  0.3432% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  17.99 +/- 0.69   0.017% *  0.1181% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  21.62 +/- 1.71   0.006% *  0.2475% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 100.7:
      O   QB    LYS+  81 - HN    LYS+  81   2.40 +/- 0.22  99.967% * 99.1460% (0.97  10.0   5.23 100.71) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  11.44 +/- 1.34   0.020% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  12.05 +/- 1.15   0.008% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  16.28 +/- 0.68   0.001% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  15.02 +/- 0.74   0.002% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  19.04 +/- 0.85   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  20.94 +/- 1.88   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.69 +/- 1.62   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  21.28 +/- 0.92   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  23.29 +/- 0.62   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  28.57 +/- 0.63   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  29.55 +/- 1.40   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  26.11 +/- 1.07   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.75, residual support = 100.7:
          QG    LYS+  81 - HN    LYS+  81   2.32 +/- 0.43  99.995% * 98.7234% (0.97   4.75 100.71) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.77 +/- 0.91   0.003% *  0.1469% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  19.41 +/- 1.06   0.001% *  0.3976% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  21.35 +/- 0.88   0.000% *  0.4074% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  22.87 +/- 1.21   0.000% *  0.1329% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  24.46 +/- 0.85   0.000% *  0.0959% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  27.09 +/- 0.77   0.000% *  0.0959% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.358, support = 5.04, residual support = 31.1:
          QD2   LEU   80 - HN    LYS+  81   5.15 +/- 0.66  27.529% * 74.3132% (0.53   4.88  31.06) =  54.741%  kept
          QD1   LEU   80 - HN    LYS+  81   4.23 +/- 0.48  72.258% * 23.4070% (0.15   5.24  31.06) =  45.257%  kept
          QD1   LEU   73 - HN    LYS+  81  12.75 +/- 0.78   0.094% *  0.5194% (0.90   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LYS+  81  17.10 +/- 0.70   0.016% *  0.5194% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LYS+  81  14.82 +/- 0.61   0.038% *  0.1610% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  18.65 +/- 0.99   0.010% *  0.4838% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  14.47 +/- 0.83   0.045% *  0.0894% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  20.72 +/- 1.78   0.006% *  0.3279% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  21.29 +/- 0.73   0.004% *  0.1788% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.05 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.544, support = 2.69, residual support = 8.79:
          HB2   ASP-  76 - HN    GLU-  79   2.61 +/- 0.63  76.253% * 32.5422% (0.51   2.09   5.16) =  61.060%  kept
          HB2   ASP-  78 - HN    GLU-  79   3.43 +/- 0.42  23.731% * 66.6823% (0.60   3.64  14.49) =  38.940%  kept
          HB2   ASP-  86 - HN    GLU-  79  12.08 +/- 0.30   0.012% *  0.0505% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  15.12 +/- 0.51   0.003% *  0.1535% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  19.51 +/- 1.67   0.001% *  0.1965% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  21.39 +/- 2.25   0.000% *  0.1038% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  26.93 +/- 0.51   0.000% *  0.2712% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 3.94, residual support = 53.4:
      O   HB2   GLU-  79 - HN    GLU-  79   2.59 +/- 0.30  99.988% * 98.3341% (0.09  10.0   3.94  53.40) = 100.000%  kept
          HG2   PRO   52 - HN    GLU-  79  13.34 +/- 0.80   0.007% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU-  79  14.53 +/- 0.68   0.004% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  22.72 +/- 0.90   0.000% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  20.72 +/- 0.59   0.000% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.63 +/- 2.36   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  27.29 +/- 0.56   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.79, residual support = 53.4:
      O   HB3   GLU-  79 - HN    GLU-  79   2.77 +/- 0.43  99.965% * 99.6469% (0.59  10.0   3.79  53.40) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  12.31 +/- 1.52   0.029% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  16.86 +/- 0.79   0.003% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  16.77 +/- 0.55   0.003% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.43 +/- 0.64   0.001% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  28.56 +/- 0.47   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 36.0:
      O   HB3   ASP-  78 - HN    ASP-  78   2.43 +/- 0.42  99.793% * 99.4250% (0.49  10.0   3.95  35.97) = 100.000%  kept
          QB    CYSS  50 - HN    ASP-  78   8.15 +/- 0.77   0.117% *  0.1971% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+  74 - HN    ASP-  78   9.36 +/- 1.25   0.088% *  0.2002% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  17.03 +/- 0.67   0.001% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.60 +/- 0.51   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 4.69, residual support = 32.5:
      O   HB2   ASP-  78 - HN    ASP-  78   2.85 +/- 0.49  64.856% * 81.2849% (0.98  10.0   4.61  35.97) =  89.002%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.36 +/- 0.69  35.132% * 18.5428% (0.84   1.0   5.35   4.10) =  10.998%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.96 +/- 0.53   0.009% *  0.0112% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.99 +/- 0.49   0.002% *  0.0341% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.57 +/- 1.58   0.001% *  0.0436% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  20.63 +/- 2.05   0.001% *  0.0231% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.22 +/- 0.36   0.000% *  0.0602% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.7, residual support = 28.6:
      O   HA    THR   77 - HN    ASP-  78   3.50 +/- 0.05  99.873% * 99.9219% (0.92  10.0   4.70  28.62) = 100.000%  kept
          HB2   TRP   27 - HN    ASP-  78  11.52 +/- 0.57   0.082% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASP-  78  13.19 +/- 1.09   0.041% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  19.16 +/- 0.52   0.004% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.84, residual support = 4.1:
          HA    ASP-  76 - HN    ASP-  78   3.58 +/- 0.17  99.999% * 99.6952% (0.95   2.84   4.10) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  23.66 +/- 1.35   0.001% *  0.3048% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 37.7:
      O   HA    THR   77 - HN    THR   77   2.76 +/- 0.03  99.940% * 99.8846% (0.98  10.0   4.01  37.68) = 100.000%  kept
          HB2   TRP   27 - HN    THR   77  10.81 +/- 0.67   0.030% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    THR   77  11.05 +/- 1.06   0.030% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 4.01, residual support = 13.8:
          HB2   ASP-  76 - HN    THR   77   4.17 +/- 0.35  80.702% * 63.1935% (1.00   4.13  11.71) =  87.939%  kept
          HB2   ASP-  78 - HN    THR   77   5.47 +/- 0.59  19.258% * 36.3199% (0.76   3.10  28.62) =  12.061%  kept
          HB2   ASN   28 - HN    THR   77  16.36 +/- 0.60   0.024% *  0.0537% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.38 +/- 1.55   0.009% *  0.0764% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.07 +/- 0.49   0.002% *  0.2958% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.83 +/- 1.62   0.005% *  0.0607% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.564, support = 3.63, residual support = 11.7:
          HB3   ASP-  76 - HN    THR   77   4.33 +/- 0.37  73.074% * 95.2550% (0.57   3.64  11.71) =  99.665%  kept
          HG3   MET   92 - HN    THR   77   5.74 +/- 1.16  24.609% *  0.9250% (1.00   0.02   0.02) =   0.326%
          QG    GLN   90 - HN    THR   77   9.75 +/- 1.74   1.386% *  0.3155% (0.34   0.02   0.02) =   0.006%
          HB2   ASP-  44 - HN    THR   77   9.36 +/- 0.50   0.802% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR   77  17.03 +/- 0.71   0.021% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.05 +/- 0.75   0.067% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.20 +/- 1.01   0.014% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  19.20 +/- 0.84   0.010% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  20.45 +/- 1.40   0.008% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  20.67 +/- 1.43   0.007% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.55 +/- 1.18   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.11 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 37.7:
          QG2   THR   77 - HN    THR   77   2.02 +/- 0.21  99.845% * 96.0762% (0.61   4.01  37.68) =  99.999%  kept
          HB3   LEU   80 - HN    THR   77   6.58 +/- 0.84   0.132% *  0.3250% (0.41   0.02   0.57) =   0.000%
          HB3   ASP-  44 - HN    THR   77   8.89 +/- 0.61   0.018% *  0.1760% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  11.64 +/- 0.58   0.004% *  0.7478% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  17.35 +/- 0.57   0.000% *  0.4476% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  16.24 +/- 1.00   0.001% *  0.2440% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  18.36 +/- 0.85   0.000% *  0.5114% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  24.19 +/- 0.53   0.000% *  0.7090% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  27.15 +/- 0.51   0.000% *  0.7629% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.61, residual support = 3.84:
          QB    ALA   47 - HN    THR   77   4.46 +/- 0.55  99.383% * 98.6323% (0.90   2.61   3.84) =  99.996%  kept
          QG1   VAL   42 - HN    THR   77  11.51 +/- 0.55   0.419% *  0.6742% (0.80   0.02   0.02) =   0.003%
          QB    ALA   64 - HN    THR   77  13.65 +/- 1.13   0.175% *  0.3160% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    THR   77  19.24 +/- 1.71   0.023% *  0.3775% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 1 structures by 0.34 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.4:
      O   HA    VAL   75 - HN    VAL   75   2.93 +/- 0.00  99.965% * 99.8428% (0.97  10.0   5.27  84.38) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  12.20 +/- 1.35   0.025% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  14.62 +/- 1.10   0.007% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  17.31 +/- 1.48   0.003% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 0.749, residual support = 0.749:
          HB2   ASP-  44 - HN    VAL   75   4.21 +/- 0.43  95.434% * 87.0932% (0.87   0.75   0.75) =  99.932%  kept
          HB3   PHE   72 - HN    VAL   75   8.36 +/- 0.54   1.914% *  2.0462% (0.76   0.02   0.02) =   0.047%
          HG2   MET   92 - HN    VAL   75   8.55 +/- 1.25   2.282% *  0.4689% (0.18   0.02   0.02) =   0.013%
          QG    GLN   90 - HN    VAL   75  12.42 +/- 1.11   0.210% *  1.8392% (0.69   0.02   0.02) =   0.005%
          QG    GLU-  15 - HN    VAL   75  15.54 +/- 1.39   0.049% *  2.5328% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    VAL   75  15.77 +/- 1.29   0.044% *  2.2364% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  15.34 +/- 0.93   0.056% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  24.62 +/- 1.92   0.003% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  21.06 +/- 0.81   0.007% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.07 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.209, support = 4.2, residual support = 30.3:
          HB3   LYS+  74 - HN    VAL   75   4.09 +/- 0.25  89.340% * 48.5504% (0.20   4.28  30.93) =  97.796%  kept
          HG    LEU   73 - HN    VAL   75   7.72 +/- 0.32   2.116% * 43.0339% (0.76   0.98   0.13) =   2.053%  kept
          HG    LEU   80 - HN    VAL   75   7.14 +/- 0.95   4.654% *  0.9956% (0.87   0.02   0.53) =   0.104%
          HB2   LEU   80 - HN    VAL   75   7.75 +/- 1.08   2.825% *  0.3915% (0.34   0.02   0.53) =   0.025%
          HG12  ILE   19 - HN    VAL   75  10.15 +/- 0.85   0.474% *  0.8771% (0.76   0.02   0.02) =   0.009%
          QB    ALA   61 - HN    VAL   75  11.32 +/- 1.16   0.244% *  1.1250% (0.98   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    VAL   75  12.71 +/- 1.52   0.124% *  0.9586% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    VAL   75  14.84 +/- 1.46   0.048% *  1.1452% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  16.29 +/- 1.52   0.029% *  1.0595% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.70 +/- 0.97   0.047% *  0.3191% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    VAL   75  14.89 +/- 1.02   0.042% *  0.3191% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  15.15 +/- 1.41   0.042% *  0.2271% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  20.79 +/- 1.00   0.006% *  0.7425% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  20.05 +/- 1.57   0.008% *  0.2555% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.54, residual support = 30.9:
          HG2   LYS+  74 - HN    VAL   75   3.16 +/- 0.60  99.230% * 95.1025% (0.45   5.54  30.93) =  99.996%  kept
          QG2   ILE   56 - HN    VAL   75  10.18 +/- 2.15   0.202% *  0.6648% (0.87   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.62 +/- 0.59   0.125% *  0.5264% (0.69   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   75   9.48 +/- 0.64   0.229% *  0.2614% (0.34   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    VAL   75  11.62 +/- 0.51   0.077% *  0.7396% (0.97   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   75  11.89 +/- 0.43   0.061% *  0.5264% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.68 +/- 0.63   0.025% *  0.7396% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  12.86 +/- 1.18   0.047% *  0.3151% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.48 +/- 0.79   0.003% *  0.3730% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  22.29 +/- 0.80   0.001% *  0.7512% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.941, support = 4.52, residual support = 83.8:
      O   HB    VAL   75 - HN    VAL   75   2.81 +/- 0.50  93.431% * 86.2870% (0.95  10.0   4.50  84.38) =  98.926%  kept
          HG3   LYS+  74 - HN    VAL   75   4.57 +/- 0.41   6.482% * 13.4990% (0.49   1.0   6.08  30.93) =   1.074%  kept
          QD1   LEU   67 - HN    VAL   75  11.41 +/- 1.29   0.035% *  0.0662% (0.73   1.0   0.02   0.02) =   0.000%
          QD2   LEU   40 - HN    VAL   75  12.14 +/- 1.14   0.026% *  0.0697% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.60 +/- 0.59   0.012% *  0.0553% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  12.88 +/- 1.04   0.014% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.67, support = 0.48, residual support = 1.74:
          QG2   THR   46 - HN    VAL   75   3.72 +/- 0.60  86.948% * 19.6649% (0.69   0.37   1.98) =  87.135%  kept
          QD2   LEU   73 - HN    VAL   75   6.87 +/- 0.75   3.231% * 54.1118% (0.41   1.70   0.13) =   8.909%  kept
          QG1   VAL   43 - HN    VAL   75   7.08 +/- 0.36   2.638% * 17.7246% (0.97   0.24   0.02) =   2.383%  kept
          QG2   VAL   18 - HN    VAL   75   6.78 +/- 1.09   6.168% *  4.8957% (0.80   0.08   0.02) =   1.539%  kept
          QD1   ILE   19 - HN    VAL   75   9.33 +/- 0.50   0.492% *  0.5285% (0.34   0.02   0.02) =   0.013%
          QG1   VAL   41 - HN    VAL   75  11.66 +/- 0.48   0.124% *  1.5459% (1.00   0.02   0.02) =   0.010%
          HG    LEU   31 - HN    VAL   75  11.09 +/- 0.74   0.179% *  0.8771% (0.57   0.02   0.02) =   0.008%
          QD1   ILE   56 - HN    VAL   75  11.21 +/- 1.40   0.199% *  0.3066% (0.20   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   75  15.69 +/- 0.92   0.021% *  0.3449% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.4:
          QG1   VAL   75 - HN    VAL   75   3.57 +/- 0.27  99.926% * 99.6866% (0.92   5.27  84.38) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.80 +/- 1.36   0.074% *  0.3134% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 5.11, residual support = 84.4:
          QG2   VAL   75 - HN    VAL   75   2.72 +/- 0.55  99.498% * 99.5273% (0.49   5.11  84.38) =  99.999%  kept
          QD1   ILE   89 - HN    VAL   75   7.67 +/- 0.53   0.291% *  0.1996% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    VAL   75   9.06 +/- 0.88   0.211% *  0.2731% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.698, support = 4.4, residual support = 185.4:
      O   HB3   LYS+  74 - HN    LYS+  74   2.83 +/- 0.26  72.413% * 95.3890% (0.71  10.0   4.38 187.60) =  98.497%  kept
          HB3   LEU   73 - HN    LYS+  74   3.52 +/- 0.53  26.210% *  4.0173% (0.11   1.0   5.45  40.88) =   1.501%  kept
          HG12  ILE   19 - HN    LYS+  74   6.13 +/- 0.76   1.031% *  0.0580% (0.43   1.0   0.02   6.31) =   0.001%
          HG    LEU   80 - HN    LYS+  74   8.72 +/- 0.81   0.104% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  74   9.82 +/- 0.89   0.048% *  0.0923% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.48 +/- 0.59   0.121% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.32 +/- 0.65   0.012% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74  11.35 +/- 1.16   0.024% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.02 +/- 1.13   0.016% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  12.75 +/- 1.41   0.011% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.64 +/- 1.37   0.003% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.24 +/- 1.86   0.003% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  15.11 +/- 1.60   0.004% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  21.24 +/- 1.76   0.001% *  0.0956% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.66, residual support = 40.9:
          QD2   LEU   73 - HN    LYS+  74   3.89 +/- 0.21  99.392% * 97.2076% (0.20   5.66  40.88) =  99.998%  kept
          HG    LEU   31 - HN    LYS+  74   9.53 +/- 0.74   0.515% *  0.2165% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  13.25 +/- 1.39   0.079% *  0.6505% (0.37   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+  74  18.76 +/- 1.19   0.009% *  0.7000% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  21.34 +/- 1.84   0.004% *  1.2254% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.19 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.66, residual support = 40.9:
          HB2   LEU   73 - HN    LYS+  74   3.17 +/- 0.35  99.922% * 97.9443% (0.64   5.66  40.88) = 100.000%  kept
          HB3   MET   92 - HN    LYS+  74  13.22 +/- 0.62   0.023% *  0.2948% (0.54   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LYS+  74  13.89 +/- 0.83   0.016% *  0.2184% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  16.20 +/- 0.51   0.007% *  0.3824% (0.70   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.68 +/- 0.86   0.006% *  0.3849% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  14.51 +/- 1.25   0.015% *  0.1316% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  16.73 +/- 1.02   0.006% *  0.1730% (0.32   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  18.99 +/- 0.98   0.003% *  0.0763% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  23.21 +/- 0.99   0.001% *  0.2496% (0.46   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  22.36 +/- 1.13   0.001% *  0.1448% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.469, support = 0.0199, residual support = 0.0199:
          HB2   LEU   71 - HN    LYS+  74   8.84 +/- 0.40  66.380% *  5.8297% (0.27   0.02   0.02) =  46.162%  kept
          HB    VAL   41 - HN    LYS+  74  11.19 +/- 0.78  17.039% * 15.4986% (0.71   0.02   0.02) =  31.502%  kept
          QB    LYS+  66 - HN    LYS+  74  14.39 +/- 1.30   4.160% * 14.9905% (0.68   0.02   0.02) =   7.438%  kept
          HG2   PRO   93 - HN    LYS+  74  14.69 +/- 1.12   3.709% * 11.8708% (0.54   0.02   0.02) =   5.253%  kept
          HG12  ILE  103 - HN    LYS+  74  15.75 +/- 0.83   2.193% * 14.6936% (0.67   0.02   0.02) =   3.843%  kept
          QB    LYS+  65 - HN    LYS+  74  14.11 +/- 1.04   4.495% *  6.3858% (0.29   0.02   0.02) =   3.424%  kept
          HB3   PRO   52 - HN    LYS+  74  18.70 +/- 0.82   0.775% * 11.2793% (0.51   0.02   0.02) =   1.042%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.09 +/- 0.59   0.931% *  8.1723% (0.37   0.02   0.02) =   0.907%  kept
          HG    LEU  123 - HN    LYS+  74  21.77 +/- 1.12   0.319% * 11.2793% (0.51   0.02   0.02) =   0.429%
    Distance limit 4.45 A violated in 20 structures by 3.80 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.784, support = 4.49, residual support = 33.7:
          HB3   PHE   72 - HN    LEU   73   3.71 +/- 0.27  63.764% * 68.8991% (0.76   5.11  40.11) =  80.472%  kept
          HB2   ASP-  44 - HN    LEU   73   4.16 +/- 0.47  35.930% * 29.6698% (0.87   1.94   7.49) =  19.527%  kept
          QG    GLU-  15 - HN    LEU   73  10.77 +/- 1.44   0.151% *  0.3337% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    LEU   73  12.31 +/- 1.36   0.062% *  0.2947% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  13.64 +/- 1.50   0.033% *  0.1203% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  16.01 +/- 0.70   0.011% *  0.2423% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  13.20 +/- 1.46   0.037% *  0.0618% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  20.46 +/- 1.74   0.003% *  0.3164% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.20 +/- 0.79   0.010% *  0.0618% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.19, residual support = 169.8:
      O   HB2   LEU   73 - HN    LEU   73   3.48 +/- 0.44  99.689% * 99.3783% (0.99  10.0   6.19 169.82) = 100.000%  kept
          QD    LYS+  99 - HN    LEU   73  12.88 +/- 0.88   0.053% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  13.72 +/- 0.56   0.033% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LEU   73  13.57 +/- 0.38   0.035% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.11 +/- 0.88   0.029% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  12.68 +/- 1.08   0.066% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  12.53 +/- 1.00   0.060% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  15.97 +/- 0.93   0.012% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.75 +/- 1.70   0.006% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.68 +/- 0.64   0.014% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  21.37 +/- 1.27   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.415, support = 6.05, residual support = 160.8:
      O   HB3   LEU   73 - HN    LEU   73   3.10 +/- 0.47  74.748% * 81.8332% (0.41  10.0   6.19 169.82) =  94.627%  kept
          HB    VAL   42 - HN    LEU   73   4.08 +/- 0.60  20.677% * 16.7797% (0.49   1.0   3.46   1.80) =   5.367%  kept
          HG12  ILE   19 - HN    LEU   73   5.93 +/- 1.57   3.246% *  0.0553% (0.28   1.0   0.02   4.00) =   0.003%
          HB3   LYS+  74 - HN    LEU   73   6.57 +/- 0.44   1.013% *  0.1727% (0.87   1.0   0.02  40.88) =   0.003%
          QB    LEU   98 - HN    LEU   73   9.21 +/- 0.62   0.133% *  0.1986% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   73  10.63 +/- 0.68   0.064% *  0.1127% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  12.23 +/- 0.90   0.028% *  0.1367% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  13.55 +/- 1.11   0.016% *  0.0969% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  11.36 +/- 0.77   0.040% *  0.0394% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  16.16 +/- 1.72   0.005% *  0.1837% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.45 +/- 0.42   0.014% *  0.0443% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  17.50 +/- 2.27   0.003% *  0.1663% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  14.87 +/- 1.22   0.008% *  0.0443% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  20.51 +/- 2.30   0.004% *  0.0614% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.47 +/- 0.83   0.003% *  0.0747% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.973, support = 7.93, residual support = 167.9:
          QD2   LEU   73 - HN    LEU   73   2.84 +/- 0.39  91.109% * 83.1036% (0.98   7.98 169.82) =  98.832%  kept
          QG1   VAL   43 - HN    LEU   73   4.86 +/- 0.53   5.478% * 16.2987% (0.38   4.09   8.77) =   1.165%  kept
          QG2   VAL   18 - HN    LEU   73   5.66 +/- 0.70   2.844% *  0.0421% (0.20   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    LEU   73   7.53 +/- 0.48   0.344% *  0.1203% (0.57   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   73   8.28 +/- 0.82   0.195% *  0.2121% (1.00   0.02   3.35) =   0.001%
          QD1   ILE   56 - HN    LEU   73  12.01 +/- 1.53   0.027% *  0.1702% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  17.47 +/- 2.44   0.003% *  0.0530% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.566, support = 6.14, residual support = 168.4:
          QD1   LEU   73 - HN    LEU   73   3.29 +/- 0.82  85.179% * 85.1157% (0.57   6.19 169.82) =  99.160%  kept
          QD2   LEU   63 - HN    LEU   73   7.12 +/- 1.32   3.779% *  9.6999% (1.00   0.40   0.02) =   0.501%  kept
          QG2   VAL   41 - HN    LEU   73   5.77 +/- 0.56   5.461% *  4.2805% (0.61   0.29   0.02) =   0.320%
          QD1   LEU   63 - HN    LEU   73   6.92 +/- 0.91   3.920% *  0.2751% (0.57   0.02   0.02) =   0.015%
          QD2   LEU   98 - HN    LEU   73   7.48 +/- 0.70   1.109% *  0.1997% (0.41   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    LEU   73  10.19 +/- 1.08   0.240% *  0.1997% (0.41   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   73   9.08 +/- 0.81   0.268% *  0.1082% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   73  13.47 +/- 1.70   0.044% *  0.1211% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.457, support = 0.978, residual support = 1.75:
          QG1   VAL   42 - HN    LEU   73   2.83 +/- 0.74  98.955% * 24.5212% (0.45   0.95   1.80) =  96.990%  kept
          QB    ALA   64 - HN    LEU   73   6.83 +/- 0.75   1.009% * 74.6276% (0.73   1.79   0.15) =   3.009%  kept
          QB    ALA   47 - HN    LEU   73  12.98 +/- 0.33   0.033% *  0.6501% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  19.48 +/- 2.26   0.003% *  0.2011% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.263, support = 1.96, residual support = 8.66:
          QG2   VAL   43 - HN    LEU   73   4.79 +/- 0.59  66.555% * 91.9858% (0.25   2.00   8.77) =  98.086%  kept
          QD2   LEU   31 - HN    LEU   73   5.63 +/- 0.77  31.021% *  3.6856% (1.00   0.02   3.35) =   1.832%  kept
          QG2   VAL   83 - HN    LEU   73   9.77 +/- 0.84   1.076% *  2.6763% (0.73   0.02   0.02) =   0.046%
          QD1   ILE   89 - HN    LEU   73   9.51 +/- 0.54   1.348% *  1.6523% (0.45   0.02   0.02) =   0.036%
    Distance limit 4.45 A violated in 1 structures by 0.18 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.04, residual support = 89.6:
      O   HB2   PHE   72 - HN    PHE   72   2.47 +/- 0.49  99.265% * 99.7503% (0.53  10.0   5.04  89.61) =  99.999%  kept
          HA    ALA   64 - HN    PHE   72   6.72 +/- 0.57   0.673% *  0.1830% (0.97   1.0   0.02  37.09) =   0.001%
          HB3   ASN   69 - HN    PHE   72   9.67 +/- 0.47   0.054% *  0.0293% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  13.42 +/- 0.61   0.008% *  0.0375% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.29, residual support = 89.6:
      O   HB3   PHE   72 - HN    PHE   72   3.33 +/- 0.42  95.357% * 99.3598% (0.76  10.0   5.29  89.61) =  99.994%  kept
          QG    GLU-  15 - HN    PHE   72   7.03 +/- 1.45   3.437% *  0.1230% (0.95   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    PHE   72   7.81 +/- 0.60   0.716% *  0.1128% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72   9.28 +/- 1.46   0.431% *  0.1086% (0.84   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  17.15 +/- 1.41   0.007% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  14.90 +/- 1.56   0.017% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  14.09 +/- 1.30   0.026% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  19.81 +/- 0.66   0.002% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  17.31 +/- 1.49   0.007% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 3.88, residual support = 19.1:
          HG    LEU   71 - HN    PHE   72   4.79 +/- 0.70  32.810% * 93.9132% (0.99   3.97  19.54) =  97.732%  kept
          QG2   THR   39 - HN    PHE   72   5.86 +/- 0.79  12.571% *  3.7283% (0.65   0.24   0.02) =   1.487%  kept
          HG13  ILE   19 - HN    PHE   72   4.70 +/- 1.63  54.061% *  0.4515% (0.95   0.02   0.02) =   0.774%  kept
          HG2   LYS+  74 - HN    PHE   72   9.57 +/- 0.97   0.402% *  0.4763% (1.00   0.02   0.02) =   0.006%
          HG3   LYS+  99 - HN    PHE   72  13.41 +/- 1.17   0.063% *  0.4773% (1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    PHE   72  14.99 +/- 0.92   0.029% *  0.1792% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    PHE   72  13.74 +/- 1.64   0.045% *  0.1063% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  18.24 +/- 0.48   0.007% *  0.3088% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  17.01 +/- 0.53   0.011% *  0.1962% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  23.04 +/- 1.61   0.002% *  0.1628% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.948, support = 5.17, residual support = 19.9:
          QD2   LEU   71 - HN    PHE   72   3.19 +/- 0.45  75.026% * 91.1509% (0.97   5.28  19.54) =  97.329%  kept
          QD1   LEU   67 - HN    PHE   72   5.13 +/- 2.05  24.325% *  7.7116% (0.31   1.40  34.71) =   2.670%  kept
          QD2   LEU   40 - HN    PHE   72   7.83 +/- 1.04   0.482% *  0.0995% (0.28   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    PHE   72   9.85 +/- 0.81   0.111% *  0.1883% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  12.49 +/- 1.62   0.030% *  0.3454% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.48 +/- 1.00   0.015% *  0.3571% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.73 +/- 0.56   0.012% *  0.1471% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.25, residual support = 32.5:
          HB    VAL   70 - HN    LEU   71   3.94 +/- 0.19  98.218% * 98.9308% (0.98   6.25  32.52) =  99.997%  kept
          QG    GLN   17 - HN    LEU   71   9.80 +/- 0.93   0.538% *  0.3221% (1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    LEU   71  10.68 +/- 0.58   0.266% *  0.2089% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71   9.95 +/- 1.23   0.585% *  0.0719% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   71  10.11 +/- 0.49   0.372% *  0.0898% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  18.15 +/- 0.64   0.011% *  0.3200% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  18.65 +/- 0.63   0.009% *  0.0565% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.35, residual support = 138.2:
      O   HB2   LEU   71 - HN    LEU   71   2.73 +/- 0.25  99.151% * 99.5111% (0.98  10.0   6.35 138.24) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   6.60 +/- 0.32   0.567% *  0.0455% (0.45   1.0   0.02   4.41) =   0.000%
          QB    LYS+  66 - HN    LEU   71   9.83 +/- 1.22   0.217% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  12.18 +/- 0.50   0.015% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.45 +/- 1.05   0.015% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  11.91 +/- 1.13   0.021% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.59 +/- 0.79   0.013% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  18.72 +/- 0.87   0.001% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.971, support = 5.56, residual support = 130.1:
          HG    LEU   71 - HN    LEU   71   3.95 +/- 0.84  27.981% * 96.0239% (0.99   5.90 138.24) =  94.096%  kept
          QG2   THR   39 - HN    LEU   71   3.00 +/- 0.43  71.617% *  2.3524% (0.65   0.22   0.22) =   5.900%  kept
          HG13  ILE   19 - HN    LEU   71   8.57 +/- 1.69   0.221% *  0.3109% (0.95   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    LEU   71   9.14 +/- 1.24   0.129% *  0.3286% (1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    LEU   71  13.02 +/- 0.93   0.014% *  0.3279% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   71  11.20 +/- 0.77   0.029% *  0.1233% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  15.28 +/- 1.86   0.005% *  0.0732% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  17.39 +/- 0.59   0.002% *  0.1351% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  18.97 +/- 0.53   0.001% *  0.2126% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  23.36 +/- 1.85   0.001% *  0.1121% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.911, support = 5.96, residual support = 82.9:
          QG1   VAL   70 - HN    LEU   71   4.02 +/- 0.23  50.236% * 50.9811% (0.98   5.65  32.52) =  52.309%  kept
          QD1   LEU   71 - HN    LEU   71   4.05 +/- 0.54  48.209% * 48.4290% (0.84   6.30 138.24) =  47.685%  kept
          QG1   VAL   18 - HN    LEU   71   7.99 +/- 0.75   0.951% *  0.1840% (1.00   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    LEU   71   9.67 +/- 1.49   0.413% *  0.1264% (0.69   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   71  12.97 +/- 2.84   0.083% *  0.1537% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  11.68 +/- 0.70   0.099% *  0.0895% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  17.12 +/- 0.65   0.009% *  0.0364% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.45, residual support = 32.5:
          QG2   VAL   70 - HN    LEU   71   2.29 +/- 0.21 100.000% *100.0000% (0.73   6.45  32.52) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 83.6:
      O   HB    VAL   70 - HN    VAL   70   2.79 +/- 0.31  99.815% * 99.6297% (0.76  10.0   4.63  83.58) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   8.61 +/- 0.97   0.149% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  11.86 +/- 0.79   0.025% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.98 +/- 0.62   0.008% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  21.52 +/- 0.67   0.001% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  18.77 +/- 1.14   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.851, support = 0.636, residual support = 1.75:
          HB3   LEU   67 - HN    VAL   70   4.44 +/- 1.02  57.256% * 33.3617% (0.87   0.64   0.02) =  91.711%  kept
          HG    LEU   40 - HN    VAL   70   7.23 +/- 0.74   2.774% * 35.5020% (0.61   0.97  36.65) =   4.728%  kept
          QG    LYS+  66 - HN    VAL   70   8.44 +/- 1.32   4.013% * 11.9214% (0.98   0.20   0.02) =   2.297%  kept
          HG    LEU   67 - HN    VAL   70   5.10 +/- 1.09  34.194% *  0.5866% (0.49   0.02   0.02) =   0.963%  kept
          HG    LEU   73 - HN    VAL   70  10.44 +/- 0.93   0.389% * 14.1657% (0.99   0.24   0.02) =   0.265%
          HG12  ILE   19 - HN    VAL   70   9.14 +/- 1.55   1.167% *  0.4955% (0.41   0.02   0.02) =   0.028%
          QB    ALA   61 - HN    VAL   70  11.42 +/- 0.57   0.165% *  0.8752% (0.73   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HN    VAL   70  17.34 +/- 1.58   0.017% *  1.1401% (0.95   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   70  17.66 +/- 1.12   0.011% *  0.7310% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  18.95 +/- 1.27   0.008% *  0.5866% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  20.37 +/- 0.79   0.006% *  0.6341% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.08 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.17, residual support = 83.6:
          QG1   VAL   70 - HN    VAL   70   2.55 +/- 0.42  99.137% * 98.3471% (0.92   5.17  83.58) =  99.997%  kept
          QD1   LEU   71 - HN    VAL   70   6.81 +/- 0.68   0.548% *  0.4120% (1.00   0.02  32.52) =   0.002%
          QG1   VAL   18 - HN    VAL   70   8.08 +/- 0.93   0.193% *  0.3441% (0.84   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    VAL   70   8.70 +/- 1.23   0.093% *  0.1405% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    VAL   70  11.32 +/- 3.04   0.022% *  0.4120% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  13.19 +/- 1.00   0.007% *  0.3441% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.21, residual support = 83.6:
          QG2   VAL   70 - HN    VAL   70   3.79 +/- 0.09 100.000% *100.0000% (0.98   4.21  83.58) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.99, residual support = 61.7:
      O   HB2   ASN   69 - HD22  ASN   69   3.86 +/- 0.25  97.711% * 99.7633% (0.55  10.0   2.99  61.65) =  99.999%  kept
          QE    LYS+  66 - HD22  ASN   69   8.89 +/- 2.29   2.114% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   69  12.61 +/- 2.39   0.170% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  26.08 +/- 0.84   0.001% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.30 +/- 1.13   0.003% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  29.88 +/- 0.71   0.000% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.29, residual support = 28.0:
          QG1   VAL   70 - HD22  ASN   69   3.91 +/- 0.61  95.257% * 97.6059% (0.56   3.29  28.00) =  99.972%  kept
          QD1   LEU   71 - HD22  ASN   69  10.00 +/- 1.41   3.179% *  0.5620% (0.53   0.02   0.02) =   0.019%
          QD1   LEU  123 - HD22  ASN   69  10.59 +/- 3.59   1.017% *  0.5620% (0.53   0.02   0.02) =   0.006%
          HB3   LEU   63 - HD22  ASN   69  11.10 +/- 0.95   0.276% *  0.3126% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  12.20 +/- 0.89   0.137% *  0.5733% (0.54   0.02   0.02) =   0.001%
          HB3   LEU  104 - HD22  ASN   69  12.32 +/- 1.28   0.133% *  0.3843% (0.36   0.02   0.02) =   0.001%
    Distance limit 4.26 A violated in 1 structures by 0.08 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 3.07, residual support = 3.07:
          HA    LEU   67 - HN    ASN   69   3.75 +/- 0.41 100.000% *100.0000% (0.92   3.07   3.07) = 100.000%  kept
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 32.1:
          HD2   PRO   68 - HN    ASN   69   2.46 +/- 0.38  99.987% * 99.1819% (0.80   5.96  32.13) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.46 +/- 0.49   0.012% *  0.3932% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.79 +/- 0.74   0.001% *  0.2689% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.44 +/- 0.71   0.001% *  0.1560% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.96, residual support = 32.1:
          HD3   PRO   68 - HN    ASN   69   3.71 +/- 0.18  99.974% * 98.4613% (0.99   5.96  32.13) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  16.04 +/- 1.15   0.017% *  0.2548% (0.76   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HN    ASN   69  21.22 +/- 0.86   0.003% *  0.3217% (0.97   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.31 +/- 0.61   0.003% *  0.3217% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  23.30 +/- 1.14   0.002% *  0.3326% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  26.19 +/- 2.86   0.001% *  0.3078% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.673, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.41 +/- 1.92  39.179% * 39.8620% (0.87   0.02   0.02) =  64.009%  kept
          HA    ALA   64 - HN    ASN   69   7.34 +/- 0.49  60.334% * 14.1837% (0.31   0.02   0.02) =  35.074%  kept
          HB3   ASN   35 - HN    ASN   69  16.23 +/- 0.46   0.487% * 45.9543% (1.00   0.02   0.02) =   0.918%  kept
    Distance limit 3.82 A violated in 20 structures by 2.74 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 28.0:
          HB    VAL   70 - HN    ASN   69   4.23 +/- 0.54  98.767% * 89.1825% (0.15   3.84  28.00) =  99.985%  kept
          HB2   LYS+  38 - HN    ASN   69  12.18 +/- 0.83   0.246% *  2.9816% (0.99   0.02   0.02) =   0.008%
          QG    GLN   17 - HN    ASN   69   9.98 +/- 0.83   0.850% *  0.5953% (0.20   0.02   0.02) =   0.006%
          QB    GLU-  36 - HN    ASN   69  13.77 +/- 0.70   0.106% *  0.5268% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ASN   69  20.99 +/- 1.38   0.009% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  18.98 +/- 0.93   0.014% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  23.88 +/- 0.78   0.004% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  28.65 +/- 1.20   0.001% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  24.84 +/- 1.03   0.003% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.10 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.881, support = 6.04, residual support = 32.1:
      O   HB3   PRO   68 - HN    ASN   69   3.94 +/- 0.59  21.449% * 95.4467% (0.99  10.0   6.04  32.13) =  87.161%  kept
          HG2   PRO   68 - HN    ASN   69   3.07 +/- 0.88  76.641% *  3.9329% (0.14   1.0   6.04  32.13) =  12.833%  kept
          QB    GLU-  15 - HN    ASN   69   7.02 +/- 1.31   1.708% *  0.0699% (0.73   1.0   0.02   0.02) =   0.005%
          HB2   GLN   17 - HN    ASN   69  11.98 +/- 1.21   0.087% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  14.48 +/- 0.83   0.017% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  13.60 +/- 0.80   0.025% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  14.97 +/- 2.33   0.015% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  14.83 +/- 1.08   0.011% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  12.60 +/- 0.85   0.040% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.44 +/- 2.49   0.001% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  18.92 +/- 1.23   0.003% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  21.84 +/- 1.18   0.001% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.56 +/- 0.92   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  25.51 +/- 1.86   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.5, residual support = 32.1:
          HG3   PRO   68 - HN    ASN   69   3.82 +/- 0.32  99.589% * 92.7743% (0.38   5.50  32.13) =  99.997%  kept
          HB3   LYS+  38 - HN    ASN   69  11.83 +/- 0.87   0.142% *  0.8497% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  12.01 +/- 0.79   0.134% *  0.5448% (0.61   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASN   69  14.20 +/- 1.23   0.056% *  0.4372% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  15.27 +/- 0.81   0.027% *  0.7193% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  15.99 +/- 0.90   0.022% *  0.7193% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  20.18 +/- 0.74   0.005% *  0.8962% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  18.12 +/- 0.64   0.010% *  0.4027% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.53 +/- 0.80   0.009% *  0.3693% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  24.23 +/- 1.27   0.002% *  0.5811% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.96 +/- 1.92   0.002% *  0.4027% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  26.39 +/- 0.69   0.001% *  0.6865% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  28.54 +/- 1.26   0.001% *  0.6170% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.46, residual support = 28.0:
          QG1   VAL   70 - HN    ASN   69   2.80 +/- 0.52  98.999% * 97.9109% (0.73   4.46  28.00) =  99.996%  kept
          QD1   LEU   71 - HN    ASN   69   8.59 +/- 0.94   0.698% *  0.2940% (0.49   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    ASN   69   9.42 +/- 1.01   0.119% *  0.5829% (0.97   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69   9.73 +/- 0.81   0.097% *  0.5045% (0.84   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ASN   69  10.63 +/- 3.23   0.074% *  0.2940% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ASN   69  13.43 +/- 1.03   0.012% *  0.1195% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  19.90 +/- 0.95   0.001% *  0.2940% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.96, residual support = 17.4:
          HD2   PRO   68 - HN    LEU   67   4.31 +/- 0.52  77.742% * 96.3291% (1.00   3.97  17.35) =  99.299%  kept
          HA    VAL   24 - HE3   TRP   27   5.78 +/- 0.67  18.674% *  2.7455% (0.04   2.63  25.79) =   0.680%  kept
          HA    ALA   61 - HN    LEU   67   7.36 +/- 0.21   3.423% *  0.4700% (0.97   0.02   0.02) =   0.021%
          HD3   PRO   58 - HN    LEU   67  13.61 +/- 0.45   0.087% *  0.1503% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  16.07 +/- 1.20   0.033% *  0.0591% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  16.80 +/- 1.80   0.027% *  0.0611% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  21.62 +/- 1.31   0.005% *  0.1661% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.94 +/- 1.10   0.009% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 3.99, residual support = 17.4:
          HD3   PRO   68 - HN    LEU   67   3.47 +/- 0.71  99.732% * 97.1966% (0.76   3.99  17.35) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.33 +/- 0.77   0.148% *  0.2618% (0.41   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  21.04 +/- 2.61   0.019% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HN    LEU   67  16.83 +/- 1.18   0.012% *  0.6025% (0.95   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  16.97 +/- 0.59   0.014% *  0.4375% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  19.21 +/- 1.21   0.005% *  0.5100% (0.80   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HE3   TRP   27  16.11 +/- 0.86   0.019% *  0.0757% (0.12   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  23.37 +/- 2.51   0.011% *  0.0785% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  17.75 +/- 0.90   0.010% *  0.0641% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  17.73 +/- 1.63   0.009% *  0.0612% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.51 +/- 1.62   0.014% *  0.0329% (0.05   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  19.29 +/- 0.58   0.007% *  0.0550% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.635, support = 1.41, residual support = 4.62:
          HA    ALA   64 - HN    LEU   67   3.18 +/- 0.24  96.860% * 22.0947% (0.65   1.06   4.00) =  89.989%  kept
          QE    LYS+  66 - HN    LEU   67   5.97 +/- 0.63   3.084% * 77.2027% (0.53   4.54  10.20) =  10.010%  kept
          HB3   ASN   35 - HE3   TRP   27  12.45 +/- 0.84   0.032% *  0.0678% (0.10   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  19.86 +/- 0.60   0.002% *  0.5396% (0.84   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  14.03 +/- 1.22   0.018% *  0.0525% (0.08   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  19.14 +/- 2.06   0.004% *  0.0427% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.607, support = 4.81, residual support = 57.7:
      O   HB2   LEU   67 - HN    LEU   67   2.70 +/- 0.53  96.069% * 99.1951% (0.61  10.0   4.81  57.71) =  99.997%  kept
          HG2   PRO   68 - HN    LEU   67   6.02 +/- 0.62   2.023% *  0.1058% (0.65   1.0   0.02  17.35) =   0.002%
          HB    VAL   18 - HN    LEU   67   9.00 +/- 1.85   0.923% *  0.0558% (0.34   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HE3   TRP   27   6.90 +/- 1.07   0.845% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  12.24 +/- 1.46   0.032% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.41 +/- 0.58   0.006% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  15.22 +/- 1.41   0.004% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.98 +/- 0.15   0.061% *  0.0041% (0.02   1.0   0.02   0.39) =   0.000%
          QB    GLU- 114 - HN    LEU   67  16.15 +/- 1.41   0.003% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  11.95 +/- 0.45   0.022% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  15.22 +/- 1.43   0.004% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.49 +/- 1.29   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  18.43 +/- 1.61   0.002% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  20.20 +/- 1.05   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.63 +/- 0.97   0.001% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  22.35 +/- 0.95   0.001% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  25.00 +/- 1.26   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.95 +/- 1.71   0.001% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.942, support = 4.36, residual support = 9.96:
          QB    LYS+  66 - HN    LEU   67   3.06 +/- 0.30  89.874% * 78.6219% (0.95   4.43  10.20) =  97.626%  kept
          QB    LYS+  65 - HN    LEU   67   4.69 +/- 0.22   8.954% * 19.1844% (0.76   1.34   0.02) =   2.373%  kept
          HB    VAL   41 - HE3   TRP   27   8.07 +/- 1.01   0.399% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67  10.04 +/- 1.77   0.175% *  0.0835% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   7.97 +/- 1.03   0.393% *  0.0342% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU   67  10.89 +/- 0.54   0.049% *  0.2723% (0.73   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   67  11.46 +/- 3.33   0.082% *  0.1407% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  14.08 +/- 0.65   0.010% *  0.3003% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  16.74 +/- 1.19   0.004% *  0.3717% (0.99   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.57 +/- 1.18   0.003% *  0.3253% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.39 +/- 0.94   0.026% *  0.0305% (0.08   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  18.05 +/- 1.21   0.003% *  0.2426% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  15.06 +/- 0.88   0.007% *  0.0409% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  16.47 +/- 1.51   0.004% *  0.0446% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  16.65 +/- 0.96   0.004% *  0.0467% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.96 +/- 1.09   0.001% *  0.1407% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  17.36 +/- 1.00   0.003% *  0.0360% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  15.32 +/- 1.02   0.007% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  20.84 +/- 0.82   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  23.50 +/- 1.41   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.525, support = 4.55, residual support = 54.8:
      O   HB3   LEU   67 - HN    LEU   67   3.21 +/- 0.52  40.093% * 38.5369% (0.25  10.0   3.88  57.71) =  57.819%  kept
          HG    LEU   67 - HN    LEU   67   3.93 +/- 0.76  22.095% * 43.6297% (1.00   1.0   5.66  57.71) =  36.075%  kept
          QG    LYS+  66 - HN    LEU   67   4.31 +/- 0.44   8.325% * 15.8062% (0.41   1.0   4.98  10.20) =   4.925%  kept
          HG    LEU   73 - HE3   TRP   27   3.83 +/- 1.24  29.048% *  1.0862% (0.08   1.0   1.84  11.80) =   1.181%  kept
          HG    LEU   40 - HN    LEU   67  10.17 +/- 1.23   0.050% *  0.1532% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   7.59 +/- 0.27   0.227% *  0.0238% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   9.86 +/- 1.32   0.065% *  0.0693% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.69 +/- 2.13   0.023% *  0.1062% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  13.03 +/- 1.24   0.013% *  0.0937% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  13.52 +/- 1.65   0.010% *  0.1062% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  14.15 +/- 1.65   0.007% *  0.1532% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  12.52 +/- 1.47   0.014% *  0.0193% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  12.94 +/- 0.86   0.010% *  0.0087% (0.06   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  15.09 +/- 2.07   0.004% *  0.0194% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.32 +/- 1.69   0.001% *  0.1122% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.12 +/- 1.05   0.002% *  0.0141% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.87 +/- 1.07   0.001% *  0.0193% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  14.97 +/- 1.59   0.004% *  0.0048% (0.03   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  17.74 +/- 1.68   0.002% *  0.0080% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  19.87 +/- 1.48   0.001% *  0.0133% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  15.01 +/- 1.03   0.004% *  0.0030% (0.02   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  19.85 +/- 0.77   0.001% *  0.0133% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 3.95, residual support = 57.7:
          QD1   LEU   67 - HN    LEU   67   3.63 +/- 0.58  93.205% * 92.8354% (0.31   3.95  57.71) =  99.928%  kept
          QG2   ILE  119 - HN    LEU   67   7.56 +/- 2.32   3.275% *  1.4703% (0.97   0.02   0.02) =   0.056%
          QD2   LEU   71 - HN    LEU   67   8.99 +/- 0.86   0.534% *  1.4703% (0.97   0.02   0.02) =   0.009%
          QD2   LEU   71 - HE3   TRP   27   8.30 +/- 1.05   1.264% *  0.1848% (0.12   0.02   0.02) =   0.003%
          QD2   LEU   40 - HN    LEU   67   9.32 +/- 0.77   0.477% *  0.4236% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    LEU   67  13.93 +/- 1.80   0.056% *  0.8015% (0.53   0.02   0.02) =   0.001%
          QD1   ILE  103 - HE3   TRP   27  10.85 +/- 0.97   0.228% *  0.1911% (0.13   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HE3   TRP   27   9.61 +/- 0.51   0.352% *  0.1008% (0.07   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   67  15.92 +/- 1.20   0.019% *  1.5201% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  10.11 +/- 1.12   0.314% *  0.0532% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.96 +/- 0.99   0.024% *  0.6263% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  11.55 +/- 1.69   0.157% *  0.0591% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.51 +/- 0.49   0.077% *  0.0787% (0.05   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  16.66 +/- 1.29   0.016% *  0.1848% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.09 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.06, residual support = 25.5:
      O   HA    LYS+  65 - HN    LYS+  66   3.53 +/- 0.07  99.438% * 98.9277% (0.61  10.0   6.06  25.50) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  66   9.66 +/- 1.08   0.287% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  66  10.97 +/- 2.61   0.198% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.69 +/- 2.33   0.039% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.14 +/- 1.15   0.027% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  18.13 +/- 1.32   0.006% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  21.72 +/- 1.13   0.002% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.86 +/- 1.28   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  25.19 +/- 0.79   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.61, residual support = 5.57:
          HA    LEU   63 - HN    LYS+  66   3.47 +/- 0.22  99.996% * 98.5975% (0.99   1.61   5.57) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  22.15 +/- 1.97   0.002% *  0.8486% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.48 +/- 0.90   0.002% *  0.5539% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.29, residual support = 14.7:
          HA    ALA   64 - HN    LYS+  66   3.94 +/- 0.29  79.501% * 77.2844% (0.95   4.22   7.59) =  93.261%  kept
          QE    LYS+  66 - HN    LYS+  66   5.05 +/- 0.38  19.781% * 22.4410% (0.22   5.21 112.93) =   6.738%  kept
          HB2   PHE   72 - HN    LYS+  66   8.99 +/- 1.28   0.715% *  0.0862% (0.22   0.02   0.26) =   0.001%
          HB3   ASN   35 - HN    LYS+  66  21.93 +/- 0.73   0.003% *  0.1884% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.672, support = 5.04, residual support = 106.7:
      O   QB    LYS+  66 - HN    LYS+  66   2.22 +/- 0.12  85.406% * 68.5469% (0.65  10.0   4.98 112.93) =  92.831%  kept
          QB    LYS+  65 - HN    LYS+  66   3.02 +/- 0.19  14.579% * 31.0125% (0.99   1.0   5.91  25.50) =   7.169%  kept
          HB3   GLN   17 - HN    LYS+  66  10.97 +/- 1.92   0.010% *  0.0557% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.76 +/- 0.73   0.003% *  0.1039% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  15.82 +/- 1.17   0.001% *  0.0950% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.63 +/- 0.68   0.001% *  0.0475% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  18.67 +/- 1.00   0.000% *  0.1057% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.05 +/- 1.31   0.000% *  0.0327% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.343, support = 4.14, residual support = 85.8:
          QG    LYS+  66 - HN    LYS+  66   3.15 +/- 0.49  91.116% * 20.1455% (0.15   4.53 112.93) =  73.561%  kept
          HG    LEU   67 - HN    LYS+  66   5.76 +/- 1.08   8.577% * 76.9062% (0.87   3.07  10.20) =  26.433%  kept
          QB    ALA  120 - HN    LYS+  66  10.79 +/- 1.84   0.098% *  0.5568% (0.97   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LYS+  66  12.11 +/- 1.62   0.051% *  0.5568% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  66  11.61 +/- 1.31   0.051% *  0.4619% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  11.74 +/- 1.06   0.050% *  0.4409% (0.76   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  12.93 +/- 1.54   0.027% *  0.4409% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  14.47 +/- 1.41   0.013% *  0.1604% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  14.07 +/- 1.40   0.017% *  0.1142% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  21.60 +/- 1.65   0.001% *  0.2165% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.1, residual support = 7.59:
          QB    ALA   64 - HN    LYS+  66   4.35 +/- 0.23 100.000% *100.0000% (0.95   3.10   7.59) = 100.000%  kept
    Distance limit 4.42 A violated in 0 structures by 0.07 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 165.0:
      O   HA    LYS+  65 - HN    LYS+  65   2.80 +/- 0.03  99.882% * 99.3218% (0.64  10.0   6.08 164.95) = 100.000%  kept
          HA2   GLY   16 - HN    LYS+  65   9.53 +/- 1.14   0.085% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  12.40 +/- 1.78   0.018% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  15.25 +/- 1.59   0.004% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  17.26 +/- 1.30   0.002% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.80 +/- 0.81   0.005% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  19.89 +/- 1.13   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.89 +/- 1.28   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  18.86 +/- 1.21   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  24.45 +/- 0.81   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  22.15 +/- 0.58   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  25.42 +/- 0.87   0.000% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 4.74, residual support = 26.8:
      O   HA    ALA   64 - HN    LYS+  65   3.58 +/- 0.03  96.604% * 99.9016% (0.65  10.0   4.74  26.76) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   6.87 +/- 0.74   2.524% *  0.0235% (0.15   1.0   0.02  25.50) =   0.001%
          HB2   PHE   72 - HN    LYS+  65   8.30 +/- 0.98   0.870% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  22.53 +/- 0.69   0.002% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.528, support = 6.63, residual support = 164.9:
      O   QB    LYS+  65 - HN    LYS+  65   2.19 +/- 0.13  98.427% * 99.2272% (0.53  10.0   6.63 164.95) =  99.998%  kept
          QB    LYS+  66 - HN    LYS+  65   4.47 +/- 0.19   1.530% *  0.1228% (0.65   1.0   0.02  25.50) =   0.002%
          HB3   GLN   17 - HN    LYS+  65   9.83 +/- 1.85   0.032% *  0.0289% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  11.83 +/- 2.11   0.006% *  0.0487% (0.26   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  13.05 +/- 0.54   0.003% *  0.0943% (0.50   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  14.67 +/- 1.23   0.001% *  0.1287% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  16.15 +/- 0.66   0.001% *  0.1040% (0.55   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.82 +/- 0.93   0.000% *  0.1126% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.70 +/- 1.13   0.000% *  0.0840% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.41 +/- 1.30   0.000% *  0.0487% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.138, support = 5.41, residual support = 164.1:
          HG2   LYS+  65 - HN    LYS+  65   3.05 +/- 0.49  98.251% * 70.2578% (0.14   5.44 164.95) =  99.484%  kept
          HG    LEU   67 - HN    LYS+  65   6.87 +/- 0.93   1.500% * 23.7324% (0.36   0.69   0.02) =   0.513%  kept
          HG    LEU  115 - HN    LYS+  65  11.85 +/- 1.54   0.052% *  1.2353% (0.65   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  65  11.84 +/- 1.25   0.050% *  1.2353% (0.65   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  65  12.94 +/- 1.39   0.030% *  1.3029% (0.69   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  12.40 +/- 1.33   0.034% *  0.6356% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.54 +/- 1.45   0.035% *  0.5368% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.99 +/- 1.16   0.031% *  0.5368% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  15.26 +/- 1.69   0.011% *  0.2015% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.96 +/- 1.12   0.006% *  0.3256% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.201, support = 5.01, residual support = 150.6:
          HG3   LYS+  65 - HN    LYS+  65   3.25 +/- 0.43  92.085% * 43.5618% (0.17   5.29 164.95) =  91.195%  kept
          HB2   LEU   63 - HN    LYS+  65   5.20 +/- 0.39   7.609% * 50.8855% (0.50   2.12   1.41) =   8.802%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.77 +/- 1.27   0.078% *  0.5521% (0.58   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+  65  12.84 +/- 2.35   0.053% *  0.6252% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65  10.30 +/- 0.55   0.108% *  0.1648% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  65  14.40 +/- 1.35   0.013% *  0.6551% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.88 +/- 0.86   0.018% *  0.2040% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  17.43 +/- 0.98   0.004% *  0.6551% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  16.74 +/- 2.10   0.010% *  0.2717% (0.28   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  18.92 +/- 0.79   0.003% *  0.6595% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.70 +/- 0.84   0.004% *  0.3477% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  17.81 +/- 0.83   0.004% *  0.1308% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  20.35 +/- 0.85   0.002% *  0.2963% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.00 +/- 1.92   0.002% *  0.2481% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  21.66 +/- 1.24   0.001% *  0.4009% (0.42   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  18.05 +/- 1.14   0.004% *  0.1158% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.39 +/- 1.15   0.001% *  0.2255% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.63, residual support = 26.8:
          QB    ALA   64 - HN    LYS+  65   2.72 +/- 0.17 100.000% *100.0000% (0.65   4.63  26.76) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.75, residual support = 7.44:
          HA    ALA   61 - HN    ALA   64   3.44 +/- 0.21  99.192% * 95.1123% (0.95   0.75   7.44) =  99.983%  kept
          HD2   PRO   68 - HN    ALA   64   8.35 +/- 0.68   0.558% *  2.1470% (0.80   0.02   0.02) =   0.013%
          HD3   PRO   58 - HN    ALA   64   9.62 +/- 0.43   0.233% *  1.7345% (0.65   0.02   0.02) =   0.004%
          HA    VAL   75 - HN    ALA   64  14.87 +/- 0.89   0.016% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.9:
      O   HA    ALA   64 - HN    ALA   64   2.83 +/- 0.03  99.152% * 99.9016% (0.95  10.0   4.22  20.87) = 100.000%  kept
          HB2   PHE   72 - HN    ALA   64   7.04 +/- 0.83   0.541% *  0.0235% (0.22   1.0   0.02  37.09) =   0.000%
          QE    LYS+  66 - HN    ALA   64   7.75 +/- 0.83   0.307% *  0.0235% (0.22   1.0   0.02   7.59) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.33 +/- 0.65   0.001% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 4.68, residual support = 25.1:
          QB    LYS+  65 - HN    ALA   64   4.37 +/- 0.14  67.037% * 82.3444% (0.92   4.88  26.76) =  91.371%  kept
          QB    LYS+  66 - HN    ALA   64   5.01 +/- 0.46  32.030% * 16.2689% (0.34   2.61   7.59) =   8.625%  kept
          HB3   GLN   17 - HN    ALA   64  10.35 +/- 1.26   0.510% *  0.3053% (0.84   0.02   2.43) =   0.003%
          HB2   LEU   71 - HN    ALA   64  11.75 +/- 0.57   0.188% *  0.3458% (0.95   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    ALA   64  12.72 +/- 1.30   0.136% *  0.2217% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  14.37 +/- 0.78   0.056% *  0.0723% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  18.35 +/- 0.93   0.013% *  0.3053% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  16.23 +/- 1.03   0.027% *  0.0723% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  21.94 +/- 1.13   0.004% *  0.0640% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.72, support = 6.74, residual support = 52.9:
          HB2   LEU   63 - HN    ALA   64   3.14 +/- 0.40  93.534% * 80.7537% (0.73   6.77  53.22) =  98.795%  kept
          HG3   LYS+  65 - HN    ALA   64   5.34 +/- 0.53   5.578% * 16.4865% (0.25   4.03  26.76) =   1.203%  kept
          HB3   ASP-  44 - HN    ALA   64   8.48 +/- 1.17   0.434% *  0.2744% (0.84   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    ALA   64   8.56 +/- 0.65   0.273% *  0.0819% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  12.34 +/- 1.36   0.042% *  0.3256% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.27 +/- 1.97   0.026% *  0.3108% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.62 +/- 2.15   0.037% *  0.1351% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  12.03 +/- 0.59   0.035% *  0.1014% (0.31   0.02   0.15) =   0.000%
          HG    LEU   98 - HN    ALA   64  15.47 +/- 1.06   0.009% *  0.3256% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.60 +/- 0.97   0.009% *  0.1728% (0.53   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  16.96 +/- 0.69   0.005% *  0.3278% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.24 +/- 2.01   0.005% *  0.1233% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  19.48 +/- 0.97   0.002% *  0.1993% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.67 +/- 0.70   0.003% *  0.1473% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  16.94 +/- 1.09   0.005% *  0.0575% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  16.94 +/- 0.90   0.004% *  0.0650% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.73 +/- 1.20   0.001% *  0.1121% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.73, residual support = 53.2:
          HG    LEU   63 - HN    ALA   64   3.58 +/- 1.27  90.874% * 98.5804% (0.53   6.73  53.22) =  99.988%  kept
          QD1   ILE  119 - HN    ALA   64   6.50 +/- 1.19   8.927% *  0.1101% (0.20   0.02   0.02) =   0.011%
          QG2   VAL  108 - HN    ALA   64  13.69 +/- 1.17   0.074% *  0.3375% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  104 - HN    ALA   64  14.03 +/- 1.05   0.073% *  0.2495% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    ALA   64  15.45 +/- 2.15   0.035% *  0.5137% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  18.34 +/- 0.96   0.016% *  0.2088% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.15 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.67, residual support = 53.2:
          HB3   LEU   63 - HN    ALA   64   3.71 +/- 0.55  83.716% * 99.3263% (0.97   6.67  53.22) =  99.971%  kept
          QG1   VAL   18 - HN    ALA   64   5.35 +/- 0.77  12.557% *  0.1623% (0.53   0.02   8.54) =   0.025%
          QG1   VAL   70 - HN    ALA   64   7.12 +/- 1.09   2.573% *  0.1269% (0.41   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    ALA   64   8.76 +/- 1.78   0.948% *  0.0687% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ALA   64  11.00 +/- 1.05   0.178% *  0.0687% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  15.18 +/- 1.04   0.027% *  0.2471% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.854, support = 6.06, residual support = 53.2:
          QD2   LEU   63 - HN    ALA   64   3.98 +/- 0.68  55.843% * 59.8974% (1.00   5.74  53.22) =  66.254%  kept
          QD1   LEU   63 - HN    ALA   64   4.15 +/- 0.37  43.034% * 39.5875% (0.57   6.70  53.22) =  33.745%  kept
          QD2   LEU  115 - HN    ALA   64   8.86 +/- 1.14   0.706% *  0.0521% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.71 +/- 0.96   0.229% *  0.1182% (0.57   0.02   0.15) =   0.001%
          QG2   VAL   41 - HN    ALA   64  12.07 +/- 0.61   0.095% *  0.1266% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   64  13.02 +/- 0.90   0.058% *  0.0858% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  16.50 +/- 1.41   0.015% *  0.0858% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  15.72 +/- 1.19   0.019% *  0.0465% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.9:
      O   QB    ALA   64 - HN    ALA   64   2.07 +/- 0.09 100.000% *100.0000% (0.95  10.0   4.22  20.87) = 100.000%  kept
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.4:
      O   HA    ASP-  62 - HN    LEU   63   3.62 +/- 0.03  99.919% * 99.8321% (0.97  10.0   5.24  42.44) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.15 +/- 0.92   0.078% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  21.41 +/- 1.34   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  25.67 +/- 0.56   0.001% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 12.1:
          HA    PHE   60 - HN    LEU   63   3.55 +/- 0.25  99.559% * 92.4872% (0.69   1.50  12.13) =  99.995%  kept
          QB    SER  117 - HN    LEU   63  11.68 +/- 0.81   0.097% *  1.7794% (0.99   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LEU   63  10.09 +/- 1.46   0.246% *  0.6124% (0.34   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    LEU   63  12.78 +/- 1.38   0.057% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  14.44 +/- 0.97   0.028% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.71 +/- 1.10   0.008% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  18.66 +/- 0.83   0.005% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.53, residual support = 240.8:
      O   HA    LEU   63 - HN    LEU   63   2.79 +/- 0.04  99.999% * 99.8508% (0.76  10.0   7.53 240.83) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.59 +/- 0.85   0.000% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  20.53 +/- 1.65   0.001% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 42.4:
          HB2   ASP-  62 - HN    LEU   63   3.43 +/- 0.49  99.946% * 99.7490% (0.98   5.24  42.44) = 100.000%  kept
          HB2   PRO   52 - HN    LEU   63  15.02 +/- 1.36   0.020% *  0.1741% (0.45   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    LEU   63  13.79 +/- 1.39   0.034% *  0.0769% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HB3   ASP-  62 - HN    LEU   63   2.72 +/- 0.29  99.995% * 98.9514% (0.95   5.24  42.44) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  15.00 +/- 0.67   0.004% *  0.3685% (0.92   0.02   0.97) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  23.96 +/- 2.22   0.000% *  0.2899% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  23.37 +/- 0.68   0.000% *  0.2260% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.17 +/- 1.22   0.000% *  0.1641% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.85, residual support = 240.8:
      O   HB2   LEU   63 - HN    LEU   63   2.10 +/- 0.10  99.744% * 98.8228% (0.73  10.0   7.85 240.83) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.15 +/- 0.69   0.205% *  0.0339% (0.25   1.0   0.02   1.41) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   9.07 +/- 0.91   0.020% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  11.56 +/- 1.33   0.005% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.46 +/- 1.79   0.004% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   9.88 +/- 0.77   0.011% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.25 +/- 1.87   0.006% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.90 +/- 1.19   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.58 +/- 0.73   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  14.77 +/- 0.86   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  17.14 +/- 0.48   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.24 +/- 1.77   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  20.32 +/- 0.79   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.18 +/- 0.76   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  17.56 +/- 1.05   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  19.03 +/- 0.96   0.000% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.83 +/- 1.30   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.46, residual support = 240.8:
          HG    LEU   63 - HN    LEU   63   3.11 +/- 0.28  99.365% * 99.4967% (1.00   7.46 240.83) =  99.999%  kept
          HG3   LYS+ 112 - HN    LEU   63  13.12 +/- 1.98   0.175% *  0.1942% (0.73   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    LEU   63   8.11 +/- 0.80   0.458% *  0.0468% (0.18   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  19.37 +/- 0.85   0.002% *  0.2622% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.07 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.51, residual support = 240.8:
      O   HB3   LEU   63 - HN    LEU   63   3.39 +/- 0.08  95.667% * 99.7743% (0.97  10.0   7.51 240.83) =  99.998%  kept
          QG1   VAL   18 - HN    LEU   63   7.14 +/- 0.72   1.344% *  0.0544% (0.53   1.0   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   63   7.36 +/- 1.73   2.057% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL   70 - HN    LEU   63   8.09 +/- 1.20   0.869% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  14.17 +/- 0.87   0.019% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  12.65 +/- 1.16   0.044% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.875, support = 6.82, residual support = 240.8:
          QD1   LEU   63 - HN    LEU   63   3.54 +/- 0.21  64.897% * 47.5695% (0.90   6.43 240.83) =  64.642%  kept
          QD2   LEU   63 - HN    LEU   63   3.98 +/- 0.52  32.497% * 51.9545% (0.84   7.54 240.83) =  35.353%  kept
          QD2   LEU  115 - HN    LEU   63   6.77 +/- 1.14   2.459% *  0.0934% (0.57   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    LEU   63  12.01 +/- 0.98   0.044% *  0.1480% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  12.35 +/- 1.36   0.044% *  0.0509% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  13.10 +/- 0.62   0.025% *  0.0459% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.55 +/- 0.96   0.022% *  0.0255% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  16.70 +/- 1.08   0.006% *  0.0868% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  17.43 +/- 1.38   0.005% *  0.0255% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.84 +/- 0.45  99.975% * 99.9341% (0.84  10.0   3.84  41.02) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  14.45 +/- 1.17   0.012% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.11 +/- 1.23   0.014% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.10 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.84, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.32 +/- 0.27  99.999% * 99.7231% (0.82  10.0   3.84  41.02) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.96 +/- 0.70   0.001% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  25.90 +/- 2.11   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  24.83 +/- 0.77   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  25.63 +/- 1.30   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.392, support = 0.0198, residual support = 0.0198:
          QB    LYS+  66 - HN    ASP-  62   6.47 +/- 0.56  84.517% *  5.0993% (0.32   0.02   0.02) =  77.384%  kept
          HG    LEU  123 - HN    ASP-  62  11.05 +/- 1.26   4.803% * 12.8527% (0.82   0.02   0.02) =  11.083%  kept
          HG3   PRO   68 - HN    ASP-  62  12.37 +/- 1.23   2.201% *  8.7895% (0.56   0.02   0.02) =   3.473%  kept
          HG2   ARG+  54 - HN    ASP-  62  13.09 +/- 1.26   1.859% *  7.6923% (0.49   0.02   0.02) =   2.567%  kept
          HG2   PRO   93 - HN    ASP-  62  11.39 +/- 0.99   3.458% *  2.3795% (0.15   0.02   0.02) =   1.477%  kept
          HB3   ASP- 105 - HN    ASP-  62  13.75 +/- 1.03   1.064% *  7.1484% (0.45   0.02   0.02) =   1.365%  kept
          HB3   PRO   52 - HN    ASP-  62  15.70 +/- 1.12   0.542% * 12.8527% (0.82   0.02   0.02) =   1.252%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.02 +/- 0.86   0.883% *  3.3879% (0.21   0.02   0.02) =   0.537%  kept
          HB    VAL   41 - HN    ASP-  62  17.57 +/- 0.96   0.235% *  7.6923% (0.49   0.02   0.02) =   0.324%
          HG12  ILE  103 - HN    ASP-  62  19.86 +/- 0.80   0.109% *  9.8662% (0.63   0.02   0.02) =   0.193%
          QB    LYS+  33 - HN    ASP-  62  18.98 +/- 0.74   0.154% *  5.5858% (0.35   0.02   0.02) =   0.154%
          HB    ILE  103 - HN    ASP-  62  20.94 +/- 0.70   0.077% *  8.2409% (0.52   0.02   0.02) =   0.115%
          HB3   GLN   90 - HN    ASP-  62  22.83 +/- 1.00   0.047% *  4.6346% (0.29   0.02   0.02) =   0.039%
          QB    LYS+  81 - HN    ASP-  62  22.64 +/- 0.77   0.051% *  3.7777% (0.24   0.02   0.02) =   0.034%
    Distance limit 4.25 A violated in 20 structures by 2.03 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.796, support = 2.79, residual support = 8.3:
          QB    ALA   61 - HN    ASP-  62   2.81 +/- 0.13  99.079% * 94.7960% (0.80   2.79   8.30) =  99.995%  kept
          QG    LYS+  66 - HN    ASP-  62   6.71 +/- 0.99   0.794% *  0.4468% (0.52   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ASP-  62   9.80 +/- 0.88   0.071% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  11.58 +/- 1.92   0.028% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.83 +/- 1.70   0.006% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  13.76 +/- 0.91   0.008% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.15 +/- 1.26   0.004% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  15.60 +/- 1.07   0.004% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.91 +/- 1.08   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.92 +/- 0.88   0.002% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.45 +/- 1.60   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.79 +/- 1.75   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.832, support = 1.65, residual support = 2.97:
          QB    LYS+  65 - HN    LEU   63   4.70 +/- 0.31  54.707% * 55.0952% (0.76   1.93   1.41) =  62.550%  kept
          QB    LYS+  66 - HN    LEU   63   4.93 +/- 0.52  43.817% * 41.1711% (0.95   1.17   5.57) =  37.438%  kept
          HG    LEU  123 - HN    LEU   63  10.04 +/- 1.66   0.817% *  0.2799% (0.38   0.02   0.02) =   0.005%
          HG2   PRO   93 - HN    LEU   63  11.45 +/- 1.02   0.294% *  0.7393% (0.99   0.02   0.02) =   0.005%
          HB2   LEU   71 - HN    LEU   63  13.51 +/- 0.75   0.099% *  0.5416% (0.73   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  15.35 +/- 0.94   0.044% *  0.5973% (0.80   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   63  12.81 +/- 1.34   0.155% *  0.1661% (0.22   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    LEU   63  18.39 +/- 1.02   0.015% *  0.6470% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  16.34 +/- 1.23   0.034% *  0.2799% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  17.66 +/- 0.83   0.019% *  0.4825% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.01, residual support = 41.9:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.02  99.830% * 99.3945% (0.69  10.0   5.01  41.86) = 100.000%  kept
          QB    SER  117 - HN    ALA   61  13.60 +/- 0.62   0.037% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.45 +/- 1.08   0.029% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  14.04 +/- 0.99   0.032% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.21 +/- 0.63   0.045% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.11 +/- 0.48   0.013% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  16.04 +/- 0.79   0.014% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.76, residual support = 18.0:
      O   HA    ALA   61 - HN    ALA   61   2.82 +/- 0.04  98.123% * 99.8077% (0.95  10.0   2.76  17.96) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.52 +/- 0.29   1.861% *  0.0683% (0.65   1.0   0.02   1.08) =   0.001%
          HD2   PRO   68 - HN    ALA   61  12.89 +/- 0.71   0.012% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  14.93 +/- 0.95   0.005% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.9, residual support = 41.9:
          HB2   PHE   60 - HN    ALA   61   2.82 +/- 0.42  99.917% * 99.4675% (0.84   4.90  41.86) = 100.000%  kept
          HB    THR   46 - HN    ALA   61  10.23 +/- 1.18   0.082% *  0.0963% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  19.71 +/- 1.04   0.001% *  0.4362% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.01, residual support = 41.9:
          HB3   PHE   60 - HN    ALA   61   3.15 +/- 0.74  99.958% * 99.1936% (0.98   5.01  41.86) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.64 +/- 0.77   0.014% *  0.3506% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  14.65 +/- 1.05   0.021% *  0.1662% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  17.73 +/- 1.04   0.006% *  0.1517% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  24.86 +/- 1.20   0.001% *  0.1379% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.10 +/- 0.08  99.927% * 99.0576% (0.73  10.0   4.01  17.96) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.72 +/- 0.97   0.026% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.17 +/- 1.31   0.023% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.73 +/- 0.95   0.007% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  10.85 +/- 2.33   0.010% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.30 +/- 1.08   0.005% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  14.81 +/- 1.07   0.001% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  14.10 +/- 1.68   0.001% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  15.57 +/- 1.33   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  19.16 +/- 1.15   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.35 +/- 1.77   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.1, residual support = 40.7:
          HD3   PRO   58 - HN    PHE   59   2.29 +/- 0.04  99.880% * 99.4994% (0.76   6.10  40.67) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.08 +/- 0.20   0.118% *  0.1135% (0.26   0.02   0.63) =   0.000%
          HA    VAL   75 - HN    PHE   59  17.00 +/- 0.85   0.001% *  0.3212% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  15.11 +/- 1.08   0.001% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.37, residual support = 58.8:
      O   HB2   PHE   59 - HN    PHE   59   2.51 +/- 0.42  99.585% * 99.5977% (0.76  10.0   4.37  58.85) = 100.000%  kept
          QB    PHE   55 - HN    PHE   59   7.16 +/- 0.64   0.260% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HN    PHE   59   8.65 +/- 0.68   0.091% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  10.36 +/- 0.91   0.031% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  11.23 +/- 1.79   0.028% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.21 +/- 1.14   0.005% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 58.8:
      O   HB3   PHE   59 - HN    PHE   59   2.31 +/- 0.36  99.962% * 99.9594% (0.67  10.0   4.98  58.85) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.71 +/- 1.69   0.038% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.88 +/- 0.66   0.001% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.61, residual support = 40.7:
      O   HB2   PRO   58 - HN    PHE   59   3.17 +/- 0.16  99.759% * 98.5251% (0.19  10.0   6.61  40.67) =  99.999%  kept
          HB2   GLN  116 - HN    PHE   59   9.15 +/- 1.17   0.227% *  0.3300% (0.64   1.0   0.02   0.33) =   0.001%
          HB3   PHE   97 - HN    PHE   59  14.81 +/- 1.79   0.012% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  20.31 +/- 1.22   0.002% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  25.36 +/- 1.92   0.000% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  25.02 +/- 1.18   0.000% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.3, residual support = 40.7:
          HG2   PRO   58 - HN    PHE   59   2.70 +/- 0.16  99.817% * 98.7285% (0.76   6.30  40.67) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   8.72 +/- 1.08   0.121% *  0.1314% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  13.19 +/- 0.79   0.009% *  0.3133% (0.76   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59  10.28 +/- 1.00   0.045% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  14.26 +/- 2.08   0.006% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  17.47 +/- 0.97   0.001% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  23.47 +/- 1.48   0.000% *  0.3189% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  32.48 +/- 1.56   0.000% *  0.3197% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.686, support = 6.25, residual support = 40.4:
      O   HB3   PRO   58 - HN    PHE   59   4.14 +/- 0.09  63.771% * 97.6194% (0.69  10.0   6.30  40.67) =  98.832%  kept
          HB    ILE   56 - HN    PHE   59   4.72 +/- 1.19  36.138% *  2.0356% (0.19   1.0   1.50  20.66) =   1.168%  kept
          HB2   MET   92 - HN    PHE   59  13.69 +/- 1.22   0.048% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  15.23 +/- 1.59   0.035% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  20.75 +/- 0.91   0.004% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  23.31 +/- 1.10   0.002% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  25.79 +/- 1.51   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  32.49 +/- 1.73   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.17 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.7:
          QG1   ILE   56 - HN    PHE   59   3.18 +/- 0.92  99.690% * 97.7319% (0.67   4.26  20.66) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  12.32 +/- 1.27   0.109% *  0.2369% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  14.15 +/- 1.65   0.042% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.30 +/- 1.75   0.071% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.17 +/- 0.98   0.055% *  0.0815% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  16.86 +/- 0.97   0.013% *  0.3206% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  18.80 +/- 1.45   0.008% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  19.80 +/- 1.87   0.006% *  0.4039% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  18.39 +/- 1.16   0.007% *  0.1803% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.349, support = 0.02, residual support = 1.95:
          HA    ALA   61 - HN    ALA   57   8.17 +/- 0.73  98.535% * 14.7090% (0.34   0.02   2.00) =  97.387%  kept
          HD2   PRO   68 - HN    ALA   57  17.60 +/- 1.19   1.072% * 22.6869% (0.53   0.02   0.02) =   1.634%  kept
          HA    VAL   24 - HN    ALA   57  21.99 +/- 1.22   0.307% * 41.6148% (0.97   0.02   0.02) =   0.858%  kept
          HA    LYS+  38 - HN    ALA   57  26.97 +/- 1.44   0.086% * 20.9893% (0.49   0.02   0.02) =   0.121%
    Distance limit 3.49 A violated in 20 structures by 4.67 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.342, support = 0.2, residual support = 0.02:
          HB3   CYSS  53 - HN    ALA   57   6.03 +/- 0.99  65.378% * 81.9458% (0.34   0.21   0.02) =  95.315%  kept
          HD2   ARG+  54 - HN    ALA   57   8.24 +/- 1.99  21.527% *  9.4655% (0.41   0.02   0.02) =   3.625%  kept
          HD3   PRO   93 - HN    ALA   57   8.31 +/- 1.63  12.927% *  4.5564% (0.20   0.02   0.02) =   1.048%  kept
          HD3   PRO   68 - HN    ALA   57  16.83 +/- 1.14   0.168% *  4.0322% (0.18   0.02   0.02) =   0.012%
    Distance limit 4.44 A violated in 12 structures by 1.06 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.452, support = 4.99, residual support = 30.8:
          HB    ILE   56 - HN    ALA   57   3.56 +/- 0.92  86.082% * 25.6660% (0.25   5.34  33.92) =  68.696%  kept
          HB3   PRO   58 - HN    ALA   57   5.45 +/- 0.32  13.770% * 73.1115% (0.90   4.23  24.02) =  31.302%  kept
          HB2   MET   92 - HN    ALA   57  11.62 +/- 1.54   0.120% *  0.2801% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  15.59 +/- 1.78   0.023% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  20.95 +/- 1.00   0.003% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  24.14 +/- 1.22   0.001% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  27.79 +/- 1.48   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  33.78 +/- 1.93   0.000% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.86, residual support = 24.3:
      O   QB    ALA   57 - HN    ALA   57   2.65 +/- 0.51  99.914% * 99.4737% (0.92  10.0   4.86  24.29) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  11.66 +/- 0.83   0.024% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.28 +/- 1.20   0.045% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  14.42 +/- 1.73   0.007% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  15.40 +/- 1.01   0.005% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  16.78 +/- 1.42   0.003% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.10 +/- 1.78   0.001% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  21.25 +/- 1.31   0.001% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.54 +/- 1.23   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.10 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.9:
          QG2   ILE   56 - HN    ALA   57   3.03 +/- 0.83  99.892% * 97.4851% (0.87   5.34  33.92) = 100.000%  kept
          QB    ALA   91 - HN    ALA   57  12.50 +/- 1.53   0.041% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   57  11.86 +/- 0.96   0.051% *  0.1888% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.31 +/- 1.30   0.003% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  18.40 +/- 1.34   0.004% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  18.93 +/- 1.11   0.003% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  19.77 +/- 1.05   0.002% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  20.70 +/- 1.24   0.002% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  23.89 +/- 1.83   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.32 +/- 1.81   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 61.7:
      O   HB2   ASN   69 - HD21  ASN   69   2.98 +/- 0.50  99.271% * 99.6854% (0.36  10.0   3.63  61.65) =  99.999%  kept
          QE    LYS+  66 - HD21  ASN   69   9.14 +/- 2.30   0.723% *  0.1287% (0.47   1.0   0.02   0.02) =   0.001%
          HB3   ASN   35 - HD21  ASN   69  15.90 +/- 1.51   0.006% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  25.29 +/- 1.07   0.000% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  29.15 +/- 0.93   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.318, support = 4.15, residual support = 28.0:
          QG1   VAL   70 - HD21  ASN   69   3.65 +/- 0.88  97.174% * 97.4975% (0.32   4.15  28.00) =  99.990%  kept
          QD1   LEU   71 - HD21  ASN   69   9.25 +/- 1.52   2.071% *  0.2830% (0.19   0.02   0.02) =   0.006%
          HB3   LEU   63 - HD21  ASN   69  10.96 +/- 1.16   0.233% *  0.8297% (0.56   0.02   0.02) =   0.002%
          QG1   VAL   18 - HD21  ASN   69  11.44 +/- 0.90   0.177% *  0.5700% (0.39   0.02   0.02) =   0.001%
          QD1   LEU  123 - HD21  ASN   69  11.11 +/- 3.44   0.340% *  0.2830% (0.19   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  20.62 +/- 1.04   0.005% *  0.5368% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.389, support = 0.02, residual support = 0.02:
          HA    LYS+  99 - HD21  ASN   69  10.78 +/- 1.56  16.998% * 19.7883% (0.53   0.02   0.02) =  39.061%  kept
          HA    LEU  123 - HD21  ASN   69  12.25 +/- 4.97  17.958% * 14.3693% (0.39   0.02   0.02) =  29.966%  kept
          HA    LEU   40 - HD21  ASN   69   8.81 +/- 1.77  58.283% *  2.8311% (0.08   0.02   0.02) =  19.161%  kept
          HA    ASN   35 - HD21  ASN   69  13.61 +/- 1.57   4.252% * 17.4728% (0.47   0.02   0.02) =   8.628%  kept
          HA    PHE   59 - HD21  ASN   69  16.02 +/- 1.27   1.914% *  8.6000% (0.23   0.02   0.02) =   1.912%  kept
          HA    ASP- 113 - HD21  ASN   69  23.23 +/- 1.47   0.292% * 20.1881% (0.54   0.02   0.02) =   0.685%  kept
          HA    ILE   56 - HD21  ASN   69  21.81 +/- 1.44   0.302% * 16.7505% (0.45   0.02   0.02) =   0.587%  kept
    Distance limit 4.77 A violated in 20 structures by 3.19 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.27, residual support = 18.4:
          QB    PHE   55 - HN    ILE   56   2.65 +/- 0.27  94.847% * 97.6830% (0.97   4.27  18.37) =  99.975%  kept
          HB3   CYSS  53 - HN    ILE   56   5.05 +/- 0.43   2.334% *  0.4578% (0.97   0.02   0.02) =   0.012%
          HD3   PRO   93 - HN    ILE   56   6.11 +/- 1.79   1.344% *  0.4733% (1.00   0.02   0.02) =   0.007%
          HB2   PHE   59 - HN    ILE   56   6.27 +/- 0.89   0.983% *  0.3625% (0.76   0.02  20.66) =   0.004%
          HD2   ARG+  54 - HN    ILE   56   6.97 +/- 0.63   0.488% *  0.4379% (0.92   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ILE   56  19.41 +/- 0.93   0.001% *  0.4702% (0.99   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HZ2   TRP   87  18.11 +/- 1.12   0.001% *  0.0199% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  18.33 +/- 0.75   0.001% *  0.0205% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  20.53 +/- 0.86   0.001% *  0.0199% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  20.11 +/- 1.98   0.001% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  21.99 +/- 1.56   0.000% *  0.0204% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  25.64 +/- 1.86   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 6.04, residual support = 123.2:
      O   HB    ILE   56 - HN    ILE   56   2.83 +/- 0.56  96.921% * 99.2786% (0.87  10.0   6.04 123.22) =  99.999%  kept
          HG2   ARG+  54 - HN    ILE   56   5.92 +/- 0.77   2.289% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ILE   56   7.95 +/- 0.53   0.265% *  0.0916% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ILE   56   9.82 +/- 1.40   0.156% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87   8.69 +/- 0.56   0.190% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  13.55 +/- 1.78   0.010% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  17.03 +/- 1.32   0.003% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.33 +/- 1.71   0.004% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  10.88 +/- 0.62   0.045% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  11.30 +/- 0.82   0.037% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  18.65 +/- 1.11   0.002% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  22.07 +/- 1.01   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  15.14 +/- 1.01   0.006% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  12.55 +/- 0.90   0.021% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.20 +/- 0.89   0.012% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  12.72 +/- 1.28   0.027% *  0.0008% (0.01   1.0   0.02   0.57) =   0.000%
          QB    LYS+  33 - HN    ILE   56  23.62 +/- 1.06   0.000% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.24 +/- 1.21   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  29.55 +/- 1.19   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.27 +/- 1.36   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  18.99 +/- 1.17   0.002% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  16.76 +/- 1.21   0.005% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  20.91 +/- 2.17   0.001% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  25.33 +/- 1.29   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  36.17 +/- 1.96   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  23.86 +/- 1.74   0.001% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  23.13 +/- 1.66   0.001% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  29.55 +/- 2.55   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.11 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 123.2:
          QG1   ILE   56 - HN    ILE   56   3.65 +/- 0.80  96.408% * 98.0275% (0.87   5.17 123.22) =  99.997%  kept
          HB3   MET   92 - HN    ILE   56   8.77 +/- 1.34   0.984% *  0.1958% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ILE   56  11.59 +/- 2.29   0.238% *  0.1490% (0.34   0.02   2.20) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  14.77 +/- 1.73   0.044% *  0.3498% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87   8.70 +/- 0.60   0.887% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.08 +/- 0.32   1.214% *  0.0065% (0.01   0.02  17.88) =   0.000%
          HB    ILE   89 - HN    ILE   56  16.43 +/- 1.34   0.021% *  0.1490% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  17.97 +/- 0.94   0.011% *  0.2649% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  22.19 +/- 1.37   0.003% *  0.3649% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  13.51 +/- 1.23   0.075% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  23.18 +/- 1.65   0.003% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  17.81 +/- 2.11   0.012% *  0.0674% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  15.69 +/- 1.24   0.024% *  0.0145% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  16.20 +/- 1.25   0.021% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  14.97 +/- 1.16   0.037% *  0.0085% (0.02   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  18.16 +/- 1.82   0.013% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  23.64 +/- 1.09   0.002% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  25.98 +/- 1.68   0.001% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.12 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.267, support = 0.789, residual support = 4.0:
          QB    ALA  110 - HN    ILE   56   5.22 +/- 3.94  72.066% * 25.3371% (0.20   0.88   4.75) =  84.193%  kept
          HG    LEU  115 - HN    ILE   56   7.84 +/- 1.16   7.702% * 22.1572% (0.38   0.40   0.02) =   7.869%  kept
          HB3   LEU  115 - HN    ILE   56   7.32 +/- 0.66   4.987% * 33.4381% (0.92   0.25   0.02) =   7.690%  kept
          QB    ALA   61 - HN    ILE   56   8.31 +/- 0.66   3.763% *  1.0956% (0.38   0.02   0.02) =   0.190%
          QB    ALA  120 - HN    ILE   56  13.35 +/- 1.18   0.389% *  1.0956% (0.38   0.02   0.02) =   0.020%
          HG    LEU   80 - HZ2   TRP   87   7.00 +/- 1.66   9.448% *  0.0282% (0.01   0.02   0.02) =   0.012%
          QG    LYS+  66 - HN    ILE   56  14.64 +/- 1.10   0.116% *  2.1197% (0.73   0.02   0.02) =   0.011%
          HG    LEU   73 - HZ2   TRP   87   9.19 +/- 0.92   1.013% *  0.1136% (0.04   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    ILE   56  19.08 +/- 1.32   0.020% *  2.6180% (0.90   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE   56  18.42 +/- 1.45   0.017% *  2.4383% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   56  18.11 +/- 0.87   0.018% *  1.5358% (0.53   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ILE   56  20.55 +/- 1.36   0.008% *  2.6947% (0.92   0.02   0.02) =   0.001%
          HG    LEU   40 - HZ2   TRP   87  14.94 +/- 1.72   0.111% *  0.1169% (0.04   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE   56  19.51 +/- 1.12   0.013% *  0.6499% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  19.97 +/- 1.66   0.019% *  0.4504% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HZ2   TRP   87  15.75 +/- 1.52   0.066% *  0.1223% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  21.47 +/- 1.43   0.008% *  0.5777% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  26.93 +/- 2.11   0.002% *  2.8172% (0.97   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  14.41 +/- 0.96   0.078% *  0.0195% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  15.76 +/- 1.09   0.054% *  0.0251% (0.01   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  19.69 +/- 1.87   0.012% *  0.1058% (0.04   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  21.18 +/- 1.39   0.013% *  0.0920% (0.03   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  20.28 +/- 1.28   0.009% *  0.1169% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  18.60 +/- 1.19   0.017% *  0.0475% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  19.60 +/- 1.96   0.011% *  0.0667% (0.02   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  17.30 +/- 1.04   0.021% *  0.0251% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  21.61 +/- 1.35   0.010% *  0.0475% (0.02   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  21.21 +/- 0.84   0.007% *  0.0475% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 3 structures by 0.46 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 123.2:
          QG2   ILE   56 - HN    ILE   56   2.70 +/- 0.41  99.796% * 98.4443% (1.00   6.61 123.22) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  10.72 +/- 1.61   0.041% *  0.2164% (0.73   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  10.07 +/- 0.78   0.061% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  12.74 +/- 1.02   0.012% *  0.0590% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  10.44 +/- 1.00   0.036% *  0.0084% (0.03   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  20.18 +/- 0.92   0.001% *  0.2819% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  20.01 +/- 1.04   0.001% *  0.2164% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  20.03 +/- 0.95   0.001% *  0.1928% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  20.28 +/- 1.40   0.001% *  0.1118% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  13.35 +/- 0.35   0.009% *  0.0094% (0.03   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  14.08 +/- 1.04   0.007% *  0.0094% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  16.45 +/- 2.46   0.003% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  12.70 +/- 0.70   0.012% *  0.0026% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  13.54 +/- 1.24   0.011% *  0.0023% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  15.18 +/- 0.73   0.004% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  22.48 +/- 1.26   0.000% *  0.0522% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  18.63 +/- 1.29   0.001% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  30.94 +/- 1.65   0.000% *  0.2819% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.32 +/- 1.76   0.000% *  0.0663% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  17.15 +/- 1.03   0.002% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.898, support = 5.39, residual support = 70.4:
          HB3   CYSS  53 - HN    ARG+  54   4.30 +/- 0.12  31.918% * 35.5825% (0.94   5.36  31.26) =  43.471%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.72 +/- 0.24  19.013% * 45.5031% (0.95   6.80 168.92) =  33.115%  kept
          QB    PHE   55 - HN    ARG+  54   4.27 +/- 0.13  33.050% * 18.4804% (0.76   3.45   3.80) =  23.378%  kept
          HD3   PRO   93 - HN    ARG+  54   6.23 +/- 1.50   6.560% *  0.1201% (0.85   0.02   0.02) =   0.030%
          HB2   PHE   59 - HN    ASP-  62   5.35 +/- 0.20   8.667% *  0.0132% (0.09   0.02   6.51) =   0.004%
          HB2   PHE   59 - HN    ARG+  54  10.00 +/- 1.09   0.250% *  0.0704% (0.50   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    ASP-  62  10.49 +/- 1.00   0.172% *  0.0217% (0.15   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HN    ASP-  62  11.01 +/- 1.18   0.145% *  0.0248% (0.18   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.80 +/- 0.63   0.135% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  14.02 +/- 2.20   0.053% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  13.61 +/- 0.94   0.034% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  22.33 +/- 1.10   0.002% *  0.1161% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.53, residual support = 168.9:
      O   HB2   ARG+  54 - HN    ARG+  54   3.10 +/- 0.52  99.243% * 96.9633% (0.26  10.0   6.53 168.92) = 100.000%  kept
          HB    ILE  119 - HN    ASP-  62   8.26 +/- 0.94   0.435% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.45 +/- 1.38   0.024% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  15.74 +/- 1.95   0.029% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  12.43 +/- 1.63   0.048% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.47 +/- 1.07   0.025% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  12.92 +/- 1.13   0.029% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  14.79 +/- 1.82   0.012% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  19.63 +/- 1.90   0.003% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  14.54 +/- 1.34   0.015% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.09 +/- 1.44   0.011% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  13.39 +/- 1.25   0.030% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.90 +/- 1.03   0.029% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  21.90 +/- 1.75   0.001% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.85 +/- 1.18   0.032% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  22.95 +/- 1.85   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  17.87 +/- 0.83   0.004% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  22.50 +/- 1.37   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  24.78 +/- 1.38   0.001% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  19.67 +/- 1.70   0.003% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.78 +/- 1.05   0.014% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  17.96 +/- 0.60   0.004% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.61 +/- 1.17   0.006% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.40 +/- 1.52   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  24.47 +/- 1.29   0.001% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  31.27 +/- 0.99   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  24.02 +/- 1.16   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  26.49 +/- 0.99   0.000% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.12 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.933, support = 6.44, residual support = 167.6:
          HG2   ARG+  54 - HN    ARG+  54   3.36 +/- 0.28  92.206% * 84.9268% (0.94   6.47 168.92) =  99.219%  kept
          HB3   PRO   52 - HN    ARG+  54   5.55 +/- 0.19   4.916% * 12.4765% (0.29   3.05   1.73) =   0.777%  kept
          HB    ILE   56 - HN    ARG+  54   6.77 +/- 0.81   2.077% *  0.1289% (0.46   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    ASP-  62   8.83 +/- 1.11   0.471% *  0.0241% (0.09   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.49 +/- 1.01   0.011% *  0.2375% (0.85   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  20.23 +/- 3.05   0.030% *  0.0818% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.37 +/- 1.23   0.048% *  0.0478% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  16.24 +/- 1.23   0.009% *  0.2556% (0.91   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  13.09 +/- 1.26   0.036% *  0.0491% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  11.05 +/- 1.26   0.116% *  0.0153% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  16.89 +/- 1.07   0.007% *  0.2445% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  13.75 +/- 1.03   0.024% *  0.0495% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.02 +/- 0.86   0.021% *  0.0444% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  19.47 +/- 1.21   0.003% *  0.2643% (0.94   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  24.55 +/- 1.44   0.001% *  0.2625% (0.94   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.21 +/- 1.29   0.001% *  0.2556% (0.91   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.43 +/- 0.71   0.001% *  0.2596% (0.93   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.70 +/- 1.12   0.011% *  0.0153% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  18.98 +/- 0.74   0.003% *  0.0491% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.94 +/- 0.70   0.002% *  0.0486% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.56 +/- 1.31   0.001% *  0.0524% (0.19   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  22.64 +/- 0.77   0.001% *  0.0457% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  22.83 +/- 1.00   0.001% *  0.0478% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.96 +/- 0.61   0.003% *  0.0098% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  23.13 +/- 1.09   0.001% *  0.0169% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  31.85 +/- 1.12   0.000% *  0.0903% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.17, support = 2.77, residual support = 8.23:
          QB    ALA   61 - HN    ASP-  62   2.81 +/- 0.13  97.330% * 55.0139% (0.16   2.79   8.30) =  99.178%  kept
          QB    ALA  110 - HN    ARG+  54   6.86 +/- 3.41   1.691% * 26.0013% (0.95   0.23   0.02) =   0.815%  kept
          QG    LYS+  66 - HN    ASP-  62   6.71 +/- 0.99   0.781% *  0.2593% (0.11   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    ARG+  54  10.07 +/- 0.87   0.057% *  2.1089% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ASP-  62   9.80 +/- 0.88   0.070% *  0.3423% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  11.58 +/- 1.92   0.028% *  0.4275% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  14.72 +/- 1.70   0.008% *  1.1120% (0.46   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  18.52 +/- 1.46   0.001% *  2.2795% (0.94   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  17.60 +/- 1.40   0.002% *  1.3856% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.83 +/- 1.70   0.006% *  0.4237% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  18.49 +/- 1.46   0.002% *  1.5693% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  13.76 +/- 0.91   0.008% *  0.2081% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  20.81 +/- 1.90   0.001% *  2.2643% (0.94   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  20.62 +/- 0.90   0.001% *  1.8293% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.15 +/- 1.26   0.004% *  0.2249% (0.09   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.99 +/- 1.40   0.001% *  0.9392% (0.39   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.00 +/- 1.80   0.001% *  1.2019% (0.50   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  15.60 +/- 1.07   0.004% *  0.1757% (0.07   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  21.34 +/- 0.88   0.001% *  0.5697% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.91 +/- 1.08   0.001% *  0.4265% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.92 +/- 0.88   0.002% *  0.1066% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.45 +/- 1.60   0.001% *  0.2936% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.29 +/- 1.67   0.000% *  0.7051% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.79 +/- 1.75   0.000% *  0.1319% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.447, support = 3.03, residual support = 11.2:
      O   HA2   GLY   51 - HN    GLY   51   2.74 +/- 0.06  32.664% * 83.6615% (0.49  10.0   2.21  10.06) =  72.748%  kept
          HD2   PRO   52 - HN    GLY   51   2.42 +/- 0.16  67.176% * 15.2387% (0.34   1.0   5.20  14.28) =  27.251%  kept
          QB    SER   48 - HN    GLY   51   6.71 +/- 0.30   0.153% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  12.19 +/- 0.89   0.004% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  23.66 +/- 3.39   0.001% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  16.95 +/- 0.97   0.001% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.17 +/- 1.11   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.05 +/- 1.67   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  25.39 +/- 2.74   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  18.53 +/- 1.15   0.000% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  26.16 +/- 1.71   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.86 +/- 0.78   0.000% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.21, residual support = 7.28:
      O   QB    CYSS  50 - HN    CYSS  50   2.80 +/- 0.16  99.686% * 99.5159% (0.69  10.0   1.21   7.28) =  99.999%  kept
          HB3   ASP-  78 - HN    CYSS  50   8.24 +/- 1.28   0.260% *  0.1997% (0.84   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    CYSS  50  10.20 +/- 1.02   0.054% *  0.1736% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYSS  50  23.21 +/- 1.99   0.000% *  0.0369% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYSS  50  28.71 +/- 0.94   0.000% *  0.0738% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.07, residual support = 7.17:
          QB    ALA   47 - HN    CYSS  50   2.06 +/- 0.49  99.993% * 97.7524% (0.57   2.07   7.17) = 100.000%  kept
          QB    ALA   64 - HN    CYSS  50  14.66 +/- 0.99   0.003% *  1.2093% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYSS  50  14.61 +/- 0.65   0.002% *  0.7466% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYSS  50  16.21 +/- 1.62   0.002% *  0.2917% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.339, support = 3.77, residual support = 15.6:
          QB    SER   48 - HN    TRP   49   2.99 +/- 0.38  70.696% * 27.7068% (0.45   1.0   3.91  15.61) =  51.795%  kept
      O   HA    SER   48 - HN    TRP   49   3.58 +/- 0.04  25.883% * 70.4095% (0.22  10.0   3.62  15.61) =  48.189%  kept
          HD2   PRO   52 - HN    TRP   49   5.61 +/- 0.56   2.725% *  0.2046% (0.65   1.0   0.02   3.50) =   0.015%
          HA2   GLY   51 - HN    TRP   49   6.62 +/- 0.30   0.670% *  0.0704% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    TRP   49  12.23 +/- 0.69   0.017% *  0.1079% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  15.10 +/- 0.74   0.005% *  0.3052% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  17.45 +/- 0.98   0.002% *  0.1300% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  26.05 +/- 3.03   0.001% *  0.2172% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.28 +/- 1.22   0.000% *  0.3135% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  26.23 +/- 1.47   0.000% *  0.3052% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.47 +/- 2.37   0.000% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  28.24 +/- 0.74   0.000% *  0.1418% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.01, residual support = 74.8:
      O   HB3   TRP   49 - HN    TRP   49   2.63 +/- 0.28  99.998% * 99.8958% (0.80  10.0   4.01  74.80) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  17.06 +/- 0.70   0.002% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.42, support = 2.61, residual support = 9.67:
      O   QB    SER   48 - HN    SER   48   2.22 +/- 0.14  77.490% * 66.2308% (0.45  10.0   2.61   9.67) =  87.446%  kept
      O   HA    SER   48 - HN    SER   48   2.75 +/- 0.03  22.402% * 32.8893% (0.22  10.0   2.61   9.67) =  12.554%  kept
          HD2   PRO   52 - HN    SER   48   7.22 +/- 0.72   0.083% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   8.96 +/- 0.28   0.018% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  11.20 +/- 0.70   0.005% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  13.51 +/- 0.78   0.002% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  16.01 +/- 0.96   0.001% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.82 +/- 1.30   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  25.18 +/- 1.27   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  26.09 +/- 2.65   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.02 +/- 0.72   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.24 +/- 1.97   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.27:
          QB    ALA   47 - HN    SER   48   2.74 +/- 0.04  99.991% * 99.1202% (0.90   4.08   6.27) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.77 +/- 0.60   0.004% *  0.4337% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.54 +/- 1.06   0.003% *  0.2033% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  19.37 +/- 1.65   0.001% *  0.2428% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.83, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   9.97 +/- 1.07  92.278% * 52.2208% (0.84   0.02   0.02) =  92.888%  kept
          HB2   TRP   87 - HN    ALA   47  15.46 +/- 0.44   7.722% * 47.7792% (0.76   0.02   0.02) =   7.112%  kept
    Distance limit 4.14 A violated in 20 structures by 5.68 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.49, residual support = 7.1:
          QB    CYSS  50 - HN    ALA   47   3.19 +/- 0.45  96.740% * 70.4442% (0.97   1.50   7.17) =  99.016%  kept
          QE    LYS+  74 - HN    ALA   47   7.26 +/- 1.28   2.385% * 28.2358% (0.98   0.59   0.02) =   0.978%  kept
          HB3   ASP-  78 - HN    ALA   47   7.59 +/- 0.96   0.864% *  0.4737% (0.49   0.02   0.75) =   0.006%
          HB2   PHE   72 - HN    ALA   47  15.14 +/- 0.64   0.011% *  0.2167% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.49 +/- 0.61   0.000% *  0.6296% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.21, residual support = 12.7:
          QG2   THR   46 - HN    ALA   47   3.46 +/- 0.55  99.728% * 97.5710% (0.97   3.21  12.67) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  10.34 +/- 1.07   0.184% *  0.5656% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  12.55 +/- 0.12   0.058% *  0.4332% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  15.10 +/- 0.59   0.019% *  0.5966% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.59 +/- 0.32   0.008% *  0.3070% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  19.83 +/- 0.69   0.004% *  0.5267% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 11.0:
      O   QB    ALA   47 - HN    ALA   47   2.45 +/- 0.14  99.982% * 99.7622% (0.57  10.0   2.36  10.99) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  12.37 +/- 1.13   0.008% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.78 +/- 0.49   0.008% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  15.61 +/- 1.76   0.002% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.25, residual support = 34.5:
      O   HB    THR   46 - HN    THR   46   3.28 +/- 0.38  99.588% * 99.3656% (0.25  10.0   3.25  34.51) =  99.999%  kept
          HB2   HIS   22 - HN    THR   46  10.10 +/- 1.83   0.400% *  0.1359% (0.34   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    THR   46  16.48 +/- 1.21   0.010% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.57 +/- 0.85   0.003% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.605, support = 3.59, residual support = 12.0:
          QG2   THR   77 - HN    THR   46   3.05 +/- 0.45  96.929% * 80.5855% (0.61   3.60  12.02) =  99.495%  kept
          HB3   ASP-  44 - HN    THR   46   5.95 +/- 0.49   2.481% * 15.9126% (0.22   1.94   0.02) =   0.503%  kept
          HB3   LEU   80 - HN    THR   46   7.77 +/- 0.94   0.519% *  0.3037% (0.41   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    THR   46  11.95 +/- 0.42   0.037% *  0.6988% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  13.29 +/- 0.97   0.023% *  0.2280% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  16.27 +/- 0.64   0.006% *  0.4182% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  17.10 +/- 0.82   0.004% *  0.4779% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  22.02 +/- 0.46   0.001% *  0.6625% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.29 +/- 0.40   0.000% *  0.7129% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.947, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.27 +/- 1.34  72.481% * 32.0586% (0.99   0.02   0.02) =  77.933%  kept
          QD1   ILE  119 - HN    THR   46  12.95 +/- 0.98  20.540% * 25.8997% (0.80   0.02   0.02) =  17.842%  kept
          HB2   LEU  104 - HN    THR   46  18.15 +/- 0.58   2.551% * 32.0586% (0.99   0.02   0.02) =   2.743%  kept
          HG3   LYS+ 112 - HN    THR   46  17.91 +/- 1.68   4.427% *  9.9831% (0.31   0.02   0.02) =   1.482%  kept
    Distance limit 4.57 A violated in 20 structures by 5.06 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.39, residual support = 34.5:
          QG2   THR   46 - HN    THR   46   2.39 +/- 0.23  99.854% * 97.4005% (0.97   3.39  34.51) =  99.999%  kept
          QG2   VAL   18 - HN    THR   46   8.74 +/- 1.19   0.066% *  0.5947% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    THR   46   9.23 +/- 0.14   0.035% *  0.5638% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.94 +/- 0.81   0.033% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  12.29 +/- 0.59   0.006% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  14.25 +/- 0.36   0.003% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  14.22 +/- 0.71   0.003% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.34 +/- 0.83   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.66, residual support = 1.98:
          QG1   VAL   75 - HN    THR   46   3.72 +/- 0.42  99.880% * 99.0129% (0.92   1.66   1.98) =  99.999%  kept
          QD1   LEU  115 - HN    THR   46  12.05 +/- 1.28   0.120% *  0.9871% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.1:
          HB    THR   94 - HN    PHE   45   4.46 +/- 0.68  97.909% * 94.1909% (0.65   3.30  27.08) =  99.989%  kept
          QB    SER   48 - HN    PHE   45  11.57 +/- 0.27   0.432% *  0.6747% (0.76   0.02   0.02) =   0.003%
          QB    SER   85 - HN    PHE   45  12.51 +/- 0.54   0.270% *  0.8520% (0.97   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    PHE   45  10.79 +/- 0.59   0.672% *  0.3012% (0.34   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    PHE   45  14.00 +/- 0.34   0.143% *  0.4297% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    PHE   45  16.02 +/- 1.28   0.065% *  0.8150% (0.92   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    PHE   45  12.39 +/- 0.52   0.268% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  17.65 +/- 0.73   0.034% *  0.8352% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.26 +/- 0.80   0.126% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.63 +/- 0.89   0.025% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.99 +/- 0.89   0.030% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  18.54 +/- 0.52   0.026% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 1 structures by 0.24 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 80.3:
      O   HB2   PHE   45 - HN    PHE   45   2.43 +/- 0.09  99.967% * 99.8561% (0.99  10.0   3.68  80.32) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45   9.86 +/- 1.38   0.030% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  14.07 +/- 0.94   0.003% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.01, residual support = 80.3:
      O   HB3   PHE   45 - HN    PHE   45   3.61 +/- 0.06  98.802% * 99.6079% (0.87  10.0   4.01  80.32) =  99.999%  kept
          HB    VAL  107 - HN    PHE   45   7.86 +/- 0.60   1.052% *  0.0515% (0.45   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    PHE   45  13.45 +/- 1.82   0.052% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  13.14 +/- 0.50   0.044% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  13.21 +/- 0.86   0.046% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  18.74 +/- 0.54   0.005% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (1.33, 8.74, 125.75 ppm):
    13 chemical-shift based assignments, quality = 0.478, support = 4.03, residual support = 18.6:
          HB3   ASP-  44 - HN    PHE   45   3.38 +/- 0.25  84.015% * 64.5613% (0.49   4.10  19.15) =  95.796%  kept
          QG2   THR   77 - HN    PHE   45   5.20 +/- 0.54   7.764% * 25.7987% (0.31   2.58   8.45) =   3.537%  kept
          HB3   PRO   93 - HN    PHE   45   5.61 +/- 0.94   6.918% *  5.4113% (0.15   1.08   0.02) =   0.661%  kept
          HB3   LEU   80 - HN    PHE   45   9.54 +/- 1.00   0.209% *  0.4696% (0.73   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    PHE   45   7.57 +/- 0.56   0.755% *  0.1133% (0.18   0.02   0.62) =   0.002%
          HB2   LEU   63 - HN    PHE   45  10.17 +/- 0.96   0.143% *  0.3923% (0.61   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    PHE   45  10.52 +/- 0.45   0.100% *  0.4442% (0.69   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    PHE   45  11.68 +/- 1.03   0.060% *  0.1613% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   45  14.36 +/- 1.07   0.016% *  0.5970% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  14.78 +/- 0.62   0.013% *  0.5610% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  18.29 +/- 0.45   0.003% *  0.6453% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.55 +/- 0.36   0.001% *  0.6241% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.63 +/- 0.89   0.002% *  0.2206% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.811, support = 1.13, residual support = 11.4:
          QD1   ILE   89 - HN    PHE   45   5.43 +/- 0.48  89.283% * 56.4957% (0.80   1.16  12.06) =  93.927%  kept
          QG2   VAL   83 - HN    PHE   45   8.41 +/- 0.86   7.602% * 42.4871% (0.98   0.71   1.15) =   6.014%  kept
          QD2   LEU   31 - HN    PHE   45   9.72 +/- 0.43   3.114% *  1.0173% (0.84   0.02   0.02) =   0.059%
    Distance limit 4.28 A violated in 14 structures by 1.07 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.07 +/- 0.15  99.931% * 98.4423% (1.00   4.10  12.48) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  11.92 +/- 0.69   0.034% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  15.38 +/- 1.96   0.011% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  13.69 +/- 0.58   0.014% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  18.63 +/- 0.58   0.002% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.87 +/- 0.76   0.006% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  18.56 +/- 1.09   0.002% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 8.2:
          HN    CYSS  50 - HN    CYSS  53   4.91 +/- 0.20  99.964% * 77.1198% (0.87  1.00   0.75   8.20) =  99.989%  kept
        T HN    VAL   83 - HN    CYSS  53  18.60 +/- 0.77   0.036% * 22.8802% (0.97 10.00   0.02   0.02) =   0.011%
    Distance limit 4.69 A violated in 0 structures by 0.25 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 51.9:
      O   HA    PRO   52 - HN    CYSS  53   3.48 +/- 0.02  99.884% * 99.8358% (0.61  10.0   7.18  51.86) = 100.000%  kept
          HA    LYS+ 111 - HN    CYSS  53  11.07 +/- 1.54   0.116% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.77, residual support = 43.1:
      O   HA    CYSS  53 - HN    CYSS  53   2.74 +/- 0.04  99.995% * 99.7036% (0.90  10.0   4.77  43.08) = 100.000%  kept
          HA    GLU- 114 - HN    CYSS  53  15.55 +/- 1.15   0.004% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYSS  53  19.05 +/- 1.14   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYSS  53  23.61 +/- 0.78   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYSS  53  24.40 +/- 0.65   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYSS  53  27.22 +/- 1.93   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYSS  53  26.29 +/- 0.64   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 8.16, residual support = 51.4:
          HD2   PRO   52 - HN    CYSS  53   2.26 +/- 0.01  98.470% * 60.8515% (0.34   8.20  51.86) =  99.107%  kept
          HA2   GLY   51 - HN    CYSS  53   4.56 +/- 0.14   1.485% * 36.3644% (0.49   3.43   0.02) =   0.893%  kept
          QB    SER   48 - HN    CYSS  53   9.06 +/- 0.35   0.025% *  0.3325% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYSS  53  10.01 +/- 0.94   0.015% *  0.2815% (0.65   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYSS  53  19.91 +/- 2.83   0.002% *  0.4116% (0.95   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYSS  53  16.89 +/- 1.01   0.001% *  0.4199% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYSS  53  15.75 +/- 1.38   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYSS  53  19.22 +/- 1.13   0.000% *  0.4017% (0.92   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYSS  53  21.68 +/- 2.17   0.000% *  0.2463% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYSS  53  17.62 +/- 1.13   0.000% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYSS  53  23.74 +/- 1.43   0.000% *  0.4199% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYSS  53  28.06 +/- 0.68   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.976, support = 4.93, residual support = 43.2:
      O   HB2   CYSS  53 - HN    CYSS  53   2.16 +/- 0.29  94.785% * 84.8459% (0.98  10.0   4.92  43.08) =  99.044%  kept
          HD3   PRO   52 - HN    CYSS  53   3.66 +/- 0.01   5.190% * 14.9476% (0.57   1.0   6.10  51.86) =   0.956%  kept
          HD2   PRO   58 - HN    CYSS  53   9.07 +/- 1.01   0.024% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYSS  53  19.57 +/- 0.80   0.000% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYSS  53  23.71 +/- 0.82   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYSS  53  28.34 +/- 0.61   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.966, support = 5.18, residual support = 41.2:
      O   HB3   CYSS  53 - HN    CYSS  53   3.30 +/- 0.13  57.858% * 87.4480% (0.97  10.0   5.36  43.08) =  95.557%  kept
          HD3   PRO   93 - HN    CYSS  53   4.30 +/- 1.72  35.417% *  5.4633% (1.00   1.0   1.21   0.02) =   3.654%  kept
          QB    PHE   55 - HN    CYSS  53   4.93 +/- 0.31   6.091% *  6.8460% (0.97   1.0   1.57   0.02) =   0.788%  kept
          HD2   ARG+  54 - HN    CYSS  53   7.22 +/- 0.38   0.558% *  0.0836% (0.92   1.0   0.02  31.26) =   0.001%
          HB2   PHE   59 - HN    CYSS  53  10.22 +/- 0.93   0.075% *  0.0692% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYSS  53  22.42 +/- 1.37   0.001% *  0.0898% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.2:
          QB    CYSS  50 - HN    CYSS  53   4.21 +/- 0.44  98.998% * 98.0456% (0.69   2.96   8.20) =  99.993%  kept
          QE    LYS+  74 - HN    CYSS  53  10.13 +/- 1.01   0.761% *  0.7011% (0.73   0.02   0.02) =   0.005%
          HB3   ASP-  78 - HN    CYSS  53  12.37 +/- 1.23   0.226% *  0.8064% (0.84   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    CYSS  53  19.83 +/- 2.20   0.013% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYSS  53  26.93 +/- 0.88   0.002% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.21, residual support = 51.8:
          HG2   PRO   52 - HN    CYSS  53   3.12 +/- 0.40  98.455% * 94.9841% (0.25   7.21  51.86) =  99.987%  kept
          HG2   MET   92 - HN    CYSS  53   7.84 +/- 1.11   1.382% *  0.8077% (0.76   0.02   0.02) =   0.012%
          QG    GLU- 114 - HN    CYSS  53  11.75 +/- 1.29   0.048% *  0.7259% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYSS  53  12.24 +/- 0.58   0.038% *  0.2635% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYSS  53  12.78 +/- 1.38   0.057% *  0.1430% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYSS  53  15.35 +/- 0.85   0.012% *  0.6410% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYSS  53  16.38 +/- 0.92   0.007% *  0.1851% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYSS  53  22.96 +/- 1.16   0.001% *  0.3605% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYSS  53  23.78 +/- 1.56   0.001% *  0.2353% (0.22   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYSS  53  32.26 +/- 1.03   0.000% *  0.8077% (0.76   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYSS  53  33.01 +/- 1.67   0.000% *  0.8462% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.968, support = 7.16, residual support = 51.5:
          HG3   PRO   52 - HN    CYSS  53   3.95 +/- 0.49  80.340% * 90.6390% (0.98   7.21  51.86) =  98.503%  kept
          HB2   ARG+  54 - HN    CYSS  53   5.66 +/- 0.55  13.108% *  8.3855% (0.18   3.73  31.26) =   1.487%  kept
          HB2   PRO   93 - HN    CYSS  53   6.61 +/- 1.02   6.222% *  0.1055% (0.41   0.02   0.02) =   0.009%
          HG2   PRO   58 - HN    CYSS  53  10.98 +/- 0.78   0.227% *  0.2515% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYSS  53  12.91 +/- 1.95   0.100% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYSS  53  27.31 +/- 1.83   0.001% *  0.2560% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYSS  53  25.48 +/- 0.97   0.001% *  0.0713% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYSS  53  37.45 +/- 1.87   0.000% *  0.2565% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.658, support = 7.08, residual support = 51.0:
      O   HB3   PRO   52 - HN    CYSS  53   4.18 +/- 0.23  79.394% * 77.7921% (0.65  10.0   7.22  51.86) =  95.658%  kept
          HG2   ARG+  54 - HN    CYSS  53   5.71 +/- 0.35  13.100% * 21.3866% (0.90   1.0   3.97  31.26) =   4.339%  kept
          HB    ILE   56 - HN    CYSS  53   6.92 +/- 1.24   7.096% *  0.0238% (0.20   1.0   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    CYSS  53  20.52 +/- 3.29   0.190% *  0.0778% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    CYSS  53  13.79 +/- 1.40   0.082% *  0.0826% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYSS  53  14.01 +/- 0.99   0.063% *  0.0681% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYSS  53  14.89 +/- 1.10   0.047% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYSS  53  18.49 +/- 1.02   0.012% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYSS  53  22.75 +/- 0.70   0.003% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYSS  53  24.30 +/- 1.56   0.002% *  0.1138% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYSS  53  23.65 +/- 0.88   0.003% *  0.0919% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYSS  53  21.64 +/- 0.75   0.004% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYSS  53  21.64 +/- 0.61   0.004% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.84, residual support = 45.6:
        T HN    GLN   32 - HN    LEU   31   2.62 +/- 0.13  97.455% * 99.2679% (0.78 10.00   5.84  45.63) = 100.000%  kept
          HN    ALA   34 - HN    LEU   31   4.86 +/- 0.12   2.512% *  0.0183% (0.14  1.00   0.02   3.20) =   0.000%
          HN    THR   94 - HN    PHE   55  10.37 +/- 0.90   0.030% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  16.10 +/- 0.54   0.002% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  16.93 +/- 0.74   0.001% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  27.95 +/- 1.05   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  20.92 +/- 0.95   0.000% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.20 +/- 1.11   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.53, support = 6.92, residual support = 47.8:
        T HN    GLN   30 - HN    LEU   31   2.54 +/- 0.10  96.865% * 79.7217% (0.53 10.00   6.95  48.16) =  99.211%  kept
          HN    GLU-  29 - HN    LEU   31   4.50 +/- 0.20   3.128% * 19.6283% (0.91  1.00   2.84   0.02) =   0.789%  kept
          HN    ASP-  86 - HN    LEU   31  14.60 +/- 0.58   0.003% *  0.0911% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  14.67 +/- 0.64   0.003% *  0.0392% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  25.41 +/- 1.12   0.000% *  0.3889% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  18.33 +/- 1.81   0.001% *  0.0191% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  22.18 +/- 0.85   0.000% *  0.0444% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.02 +/- 1.10   0.000% *  0.0673% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.482, support = 3.16, residual support = 20.1:
      O   HA    PHE   55 - HN    PHE   55   2.82 +/- 0.06  95.608% * 99.0930% (0.48  10.0   3.16  20.12) =  99.998%  kept
          HA    ALA  110 - HN    PHE   55   7.70 +/- 3.58   0.806% *  0.1465% (0.71   1.0   0.02   0.49) =   0.001%
          HA    TRP   27 - HN    LEU   31   5.02 +/- 0.36   3.551% *  0.0276% (0.13   1.0   0.02  12.18) =   0.001%
          HA    ALA   91 - HN    PHE   55  12.36 +/- 1.59   0.017% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.16 +/- 1.51   0.011% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  16.02 +/- 1.15   0.003% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  19.46 +/- 0.89   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.16 +/- 0.63   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  23.50 +/- 1.59   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  21.75 +/- 0.69   0.000% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.25 +/- 1.03   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.14 +/- 1.36   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.787, support = 2.93, residual support = 20.1:
      O   QB    PHE   55 - HN    PHE   55   2.05 +/- 0.07  99.004% * 99.1124% (0.79  10.0   2.93  20.12) =  99.999%  kept
          HD3   PRO   93 - HN    PHE   55   6.10 +/- 1.62   0.352% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   55   5.39 +/- 0.33   0.339% *  0.0867% (0.69   1.0   0.02   3.80) =   0.000%
          HB3   CYSS  53 - HN    PHE   55   5.47 +/- 0.14   0.280% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.64 +/- 1.05   0.025% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  18.01 +/- 0.97   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.65 +/- 1.00   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HN    LEU   31  20.80 +/- 0.87   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  21.01 +/- 1.72   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.44 +/- 0.88   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.22 +/- 0.69   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.91 +/- 2.83   0.000% *  0.0657% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (4.14, 7.84, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.346, support = 3.49, residual support = 9.0:
      O   HA    ARG+  54 - HN    PHE   55   3.53 +/- 0.03  36.583% * 70.8546% (0.25  10.0   3.33   3.80) =  60.730%  kept
          HA    ASN   28 - HN    LEU   31   3.23 +/- 0.12  62.012% * 27.0256% (0.50   1.0   3.72  17.03) =  39.265%  kept
          HA    THR   26 - HN    LEU   31   6.61 +/- 0.25   0.872% *  0.1125% (0.39   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LEU   31   7.43 +/- 0.15   0.423% *  0.1678% (0.58   1.0   0.02   3.20) =   0.002%
          HA1   GLY  101 - HN    LEU   31  11.78 +/- 2.56   0.058% *  0.1735% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  11.21 +/- 0.80   0.039% *  0.1991% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.15 +/- 0.88   0.010% *  0.2172% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.00 +/- 1.46   0.001% *  0.1508% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.53 +/- 3.21   0.002% *  0.0511% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  24.92 +/- 1.06   0.000% *  0.1645% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  25.48 +/- 0.97   0.000% *  0.1917% (0.66   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  27.51 +/- 1.10   0.000% *  0.2215% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.30 +/- 1.25   0.000% *  0.1485% (0.51   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  28.58 +/- 2.04   0.000% *  0.2291% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.94 +/- 1.82   0.000% *  0.0537% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  25.89 +/- 2.97   0.000% *  0.0387% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.04, residual support = 229.9:
      O   HA    LEU   31 - HN    LEU   31   2.80 +/- 0.04 100.000% * 99.9512% (0.60  10.0   7.04 229.93) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.46 +/- 1.02   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.471, support = 5.57, residual support = 38.7:
          HB2   GLN   30 - HN    LEU   31   3.42 +/- 0.32  55.524% * 33.9843% (0.48   6.08  48.16) =  70.218%  kept
          HB2   ARG+  54 - HN    PHE   55   3.63 +/- 0.19  39.179% * 14.6556% (0.39   3.27   3.80) =  21.367%  kept
          HG3   GLN   30 - HN    LEU   31   5.18 +/- 0.18   4.588% * 49.2863% (0.60   7.12  48.16) =   8.414%  kept
          HB2   PRO   93 - HN    PHE   55   8.05 +/- 1.04   0.408% *  0.0410% (0.18   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    PHE   55  13.91 +/- 1.90   0.053% *  0.1476% (0.64   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    PHE   55  11.45 +/- 1.95   0.064% *  0.1043% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31  10.01 +/- 0.57   0.098% *  0.0431% (0.19   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  12.42 +/- 1.20   0.032% *  0.0680% (0.29   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  13.36 +/- 0.91   0.017% *  0.1211% (0.52   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.04 +/- 2.16   0.015% *  0.1043% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  15.52 +/- 0.78   0.007% *  0.0680% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  18.90 +/- 1.12   0.002% *  0.1211% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  20.35 +/- 1.89   0.002% *  0.0897% (0.39   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  22.88 +/- 1.56   0.001% *  0.1827% (0.79   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  19.85 +/- 1.46   0.002% *  0.0790% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  23.28 +/- 1.17   0.001% *  0.1476% (0.64   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  24.19 +/- 1.27   0.000% *  0.1599% (0.69   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  23.03 +/- 1.77   0.001% *  0.1118% (0.48   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  18.83 +/- 0.96   0.002% *  0.0311% (0.13   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  23.21 +/- 1.82   0.001% *  0.0897% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.13 +/- 1.79   0.000% *  0.0790% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  27.03 +/- 2.16   0.000% *  0.0680% (0.29   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.95 +/- 1.09   0.000% *  0.1599% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.96 +/- 1.24   0.000% *  0.0569% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.04, residual support = 229.9:
      O   HB2   LEU   31 - HN    LEU   31   2.54 +/- 0.13  99.664% * 98.5368% (0.78  10.0   7.04 229.93) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.36 +/- 0.98   0.236% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.15 +/- 1.04   0.034% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  12.29 +/- 0.55   0.008% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  13.31 +/- 0.73   0.006% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  12.10 +/- 2.05   0.011% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  13.18 +/- 0.51   0.006% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  12.51 +/- 0.92   0.008% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.41 +/- 0.34   0.008% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.37 +/- 0.98   0.005% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  13.65 +/- 0.63   0.005% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.53 +/- 1.11   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  14.78 +/- 0.69   0.003% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  20.79 +/- 2.73   0.001% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  19.27 +/- 1.08   0.001% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  22.50 +/- 2.47   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  16.98 +/- 0.71   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  19.55 +/- 0.99   0.001% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.39 +/- 1.43   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.37 +/- 1.92   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.78 +/- 1.43   0.001% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.55 +/- 1.07   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.54 +/- 1.19   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.94 +/- 0.94   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.04, residual support = 229.9:
      O   HB3   LEU   31 - HN    LEU   31   3.54 +/- 0.02  98.509% * 99.4260% (0.83  10.0   7.04 229.93) = 100.000%  kept
          QB    ALA   20 - HN    LEU   31  10.90 +/- 0.26   0.116% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   8.61 +/- 1.29   0.610% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LEU   31   9.23 +/- 0.45   0.331% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   9.71 +/- 1.34   0.335% *  0.0167% (0.14   1.0   0.02   3.17) =   0.000%
          HG13  ILE  119 - HN    PHE   55  12.92 +/- 1.39   0.063% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  16.11 +/- 1.67   0.016% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  21.09 +/- 2.52   0.003% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.16 +/- 0.64   0.008% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.31 +/- 1.63   0.004% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  23.48 +/- 2.89   0.001% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.66 +/- 1.12   0.003% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.17 +/- 1.08   0.001% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  28.11 +/- 2.01   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.638, support = 7.08, residual support = 218.3:
          HG    LEU   31 - HN    LEU   31   2.96 +/- 0.61  82.209% * 58.8587% (0.64   7.32 229.93) =  94.668%  kept
          QD1   ILE   56 - HN    PHE   55   5.40 +/- 0.91   7.573% * 18.0333% (0.45   3.19  18.37) =   2.672%  kept
          QD2   LEU   73 - HN    LEU   31   5.02 +/- 0.42   6.062% * 22.4021% (0.78   2.29   3.35) =   2.657%  kept
          QG1   VAL   41 - HN    LEU   31   5.67 +/- 0.66   4.148% *  0.0410% (0.16   0.02   0.02) =   0.003%
          QD1   ILE   56 - HN    LEU   31  18.54 +/- 1.63   0.002% *  0.2320% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  17.40 +/- 1.23   0.003% *  0.0954% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.41 +/- 3.12   0.001% *  0.1608% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.41 +/- 1.64   0.001% *  0.0784% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.35 +/- 1.15   0.000% *  0.0784% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.93 +/- 0.82   0.001% *  0.0200% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.11 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.8, residual support = 229.9:
          QD2   LEU   31 - HN    LEU   31   2.09 +/- 0.29  99.882% * 97.7176% (0.18   6.80 229.93) =  99.998%  kept
          QG2   VAL   43 - HN    LEU   31   6.86 +/- 0.64   0.117% *  1.4398% (0.92   0.02   0.02) =   0.002%
          QG2   VAL   43 - HN    PHE   55  15.06 +/- 0.79   0.001% *  0.7024% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  19.44 +/- 0.81   0.000% *  0.1402% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.602, support = 2.12, residual support = 3.34:
          QD1   LEU   73 - HN    LEU   31   3.89 +/- 0.42  96.317% * 91.2791% (0.60   2.12   3.35) =  99.964%  kept
          QD2   LEU   80 - HN    LEU   31   8.60 +/- 0.64   1.026% *  1.2833% (0.90   0.02   0.02) =   0.015%
          QD2   LEU  115 - HN    PHE   55   8.46 +/- 0.94   1.388% *  0.6136% (0.43   0.02   0.02) =   0.010%
          QG1   VAL   83 - HN    LEU   31   9.41 +/- 1.08   0.759% *  0.8602% (0.60   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    PHE   55  10.73 +/- 0.84   0.307% *  0.4196% (0.29   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   31  13.11 +/- 0.87   0.087% *  1.3180% (0.92   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   31  13.57 +/- 0.83   0.063% *  0.8602% (0.60   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    PHE   55  17.18 +/- 0.97   0.016% *  0.6260% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  19.97 +/- 1.62   0.007% *  1.2579% (0.88   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  17.48 +/- 0.91   0.015% *  0.4196% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  20.03 +/- 1.45   0.007% *  0.6429% (0.45   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  19.51 +/- 0.65   0.008% *  0.4196% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.673, support = 7.44, residual support = 48.0:
          HB3   GLN   30 - HN    LEU   31   2.84 +/- 0.20  95.406% * 87.0168% (0.68   7.46  48.16) =  99.425%  kept
          HB    ILE   56 - HN    PHE   55   5.10 +/- 0.81   4.327% * 11.0913% (0.17   3.77  18.37) =   0.575%  kept
          HB2   MET   92 - HN    PHE   55   9.62 +/- 1.57   0.134% *  0.1359% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    PHE   55   9.69 +/- 1.30   0.093% *  0.1536% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.40 +/- 0.22   0.009% *  0.1690% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  13.97 +/- 1.31   0.008% *  0.1205% (0.35   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.20 +/- 0.61   0.017% *  0.0495% (0.14   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  20.20 +/- 0.84   0.001% *  0.2786% (0.81   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  21.64 +/- 2.39   0.001% *  0.1818% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  25.32 +/- 0.88   0.000% *  0.3148% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.07 +/- 0.95   0.002% *  0.0242% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.14 +/- 1.48   0.000% *  0.1205% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.47 +/- 1.10   0.000% *  0.1138% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  28.04 +/- 1.94   0.000% *  0.0588% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  31.63 +/- 1.08   0.000% *  0.0824% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  37.94 +/- 2.18   0.000% *  0.0887% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.534, support = 6.02, residual support = 41.9:
          HG2   GLN   30 - HN    LEU   31   4.75 +/- 0.15  55.737% * 75.7996% (0.49   7.14  48.16) =  80.013%  kept
          HB3   ASN   28 - HN    LEU   31   4.95 +/- 0.24  44.221% * 23.8651% (0.71   1.55  17.03) =  19.987%  kept
          QE    LYS+ 121 - HN    PHE   55  17.60 +/- 1.73   0.028% *  0.0266% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    LEU   31  20.84 +/- 2.69   0.010% *  0.0546% (0.13   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  24.02 +/- 1.24   0.003% *  0.1036% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  27.59 +/- 0.96   0.001% *  0.1504% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.39, residual support = 48.2:
      O   HA    GLN   30 - HN    LEU   31   3.60 +/- 0.04  87.396% * 98.9089% (0.64  10.0   6.39  48.16) =  99.996%  kept
          HB2   CYSS  53 - HN    PHE   55   5.25 +/- 0.18   9.224% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.46 +/- 0.34   2.800% *  0.0537% (0.35   1.0   0.02   0.13) =   0.002%
          HB    THR   39 - HN    LEU   31   9.57 +/- 0.96   0.302% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   31  10.14 +/- 0.51   0.183% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  15.90 +/- 1.68   0.014% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  15.64 +/- 1.86   0.018% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  17.08 +/- 0.58   0.008% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.46 +/- 0.95   0.035% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  16.02 +/- 1.25   0.013% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.04 +/- 1.98   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  25.40 +/- 0.64   0.001% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    LEU   31  21.79 +/- 0.83   0.002% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.39 +/- 0.69   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  25.71 +/- 1.27   0.001% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.68 +/- 1.21   0.001% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  28.46 +/- 1.66   0.000% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.93 +/- 1.27   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (4.13, 7.87, 121.30 ppm):
    18 chemical-shift based assignments, quality = 0.612, support = 6.52, residual support = 168.9:
      O   HA    ARG+  54 - HN    ARG+  54   2.73 +/- 0.04  99.888% * 99.0002% (0.61  10.0   6.52 168.92) = 100.000%  kept
          HA    LEU  115 - HN    ASP-  62   9.81 +/- 1.12   0.059% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ARG+  54  12.98 +/- 0.89   0.010% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  11.16 +/- 1.00   0.027% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.15 +/- 0.96   0.003% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.09 +/- 1.08   0.006% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  17.25 +/- 0.92   0.002% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.03 +/- 1.62   0.003% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  26.16 +/- 3.16   0.001% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.57 +/- 1.16   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.82 +/- 0.75   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.28 +/- 1.25   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  22.26 +/- 0.67   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.78 +/- 1.86   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  24.95 +/- 1.51   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.42 +/- 1.75   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  23.03 +/- 0.92   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  23.04 +/- 0.74   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 74.8:
      O   HB2   TRP   49 - HN    TRP   49   3.57 +/- 0.06  99.936% * 99.6106% (0.98  10.0   4.01  74.80) = 100.000%  kept
          HA2   GLY  109 - HN    TRP   49  14.48 +/- 2.39   0.032% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    TRP   49  14.12 +/- 0.67   0.028% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  22.34 +/- 1.53   0.002% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.09 +/- 1.44   0.002% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.55, residual support = 16.1:
          QB    ALA   47 - HE1   TRP   49   2.52 +/- 0.64  99.987% * 98.5650% (1.00   2.55  16.05) = 100.000%  kept
          HG2   LYS+ 112 - HE1   TRP   49  16.31 +/- 2.28   0.007% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   42 - HE1   TRP   49  15.25 +/- 1.01   0.003% *  0.7486% (0.97   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  16.39 +/- 1.32   0.002% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.76, residual support = 16.1:
          QB    ALA   47 - HN    TRP   49   2.75 +/- 0.18  99.993% * 99.0243% (1.00   3.76  16.05) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.84 +/- 0.63   0.003% *  0.5090% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  18.38 +/- 1.63   0.001% *  0.3623% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.12 +/- 1.06   0.003% *  0.1044% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.769, support = 0.0667, residual support = 0.02:
          HB2   CYSS  53 - HN    ALA   47   4.10 +/- 0.86  92.631% * 11.6500% (0.90   0.02   0.02) =  73.829%  kept
          HD3   PRO   52 - HN    ALA   47   6.97 +/- 0.64   7.138% * 53.2693% (0.41   0.20   0.02) =  26.013%  kept
          HD2   PRO   58 - HN    ALA   47  12.24 +/- 1.37   0.166% * 10.4018% (0.80   0.02   0.02) =   0.118%
          HA    VAL   83 - HN    ALA   47  15.55 +/- 0.57   0.052% *  9.4328% (0.73   0.02   0.02) =   0.033%
          HA    GLN   30 - HN    ALA   47  19.75 +/- 0.75   0.011% *  6.3230% (0.49   0.02   0.02) =   0.005%
          HA    GLU- 100 - HN    ALA   47  26.07 +/- 0.43   0.002% *  8.9231% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 2 structures by 0.17 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 37.8:
      O   HB2   ASP-  44 - HN    ASP-  44   2.51 +/- 0.10  99.451% * 99.4473% (0.87  10.0   3.03  37.77) = 100.000%  kept
          HB3   PHE   72 - HN    ASP-  44   6.31 +/- 0.62   0.492% *  0.0876% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44   9.82 +/- 1.34   0.037% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  13.79 +/- 1.42   0.004% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  13.00 +/- 0.62   0.006% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  13.00 +/- 1.39   0.006% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  15.10 +/- 1.45   0.003% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  23.39 +/- 1.81   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  18.91 +/- 0.68   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.71, residual support = 7.49:
          HB2   LEU   73 - HN    ASP-  44   4.42 +/- 0.61  96.340% * 95.6329% (0.87   2.71   7.49) =  99.984%  kept
          HB3   MET   92 - HN    ASP-  44  10.51 +/- 0.43   0.714% *  0.5898% (0.73   0.02   0.02) =   0.005%
          QG1   ILE   56 - HN    ASP-  44  11.25 +/- 1.33   0.717% *  0.4927% (0.61   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HN    ASP-  44  11.86 +/- 0.53   0.336% *  0.7962% (0.98   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    ASP-  44   9.68 +/- 0.56   1.073% *  0.1253% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    ASP-  44  11.52 +/- 0.85   0.456% *  0.2507% (0.31   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    ASP-  44  14.21 +/- 0.77   0.125% *  0.8051% (0.99   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    ASP-  44  13.72 +/- 0.80   0.144% *  0.3954% (0.49   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ASP-  44  18.98 +/- 0.98   0.019% *  0.4927% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  15.82 +/- 1.14   0.057% *  0.1423% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  19.19 +/- 1.31   0.019% *  0.2771% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.569, support = 1.25, residual support = 6.12:
          HB2   LYS+  74 - HN    ASP-  44   5.94 +/- 0.30  59.627% * 62.2153% (0.65   1.22   6.13) =  79.101%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.64 +/- 0.60  32.138% * 30.1544% (0.28   1.38   6.13) =  20.664%  kept
          QG2   THR   26 - HN    ASP-  44   8.81 +/- 0.90   6.578% *  1.4107% (0.90   0.02   0.02) =   0.198%
          HG2   LYS+  65 - HN    ASP-  44  14.54 +/- 1.52   0.371% *  1.4880% (0.95   0.02   0.02) =   0.012%
          QD    LYS+  66 - HN    ASP-  44  14.92 +/- 1.18   0.277% *  1.4107% (0.90   0.02   0.02) =   0.008%
          HG    LEU  104 - HN    ASP-  44  13.82 +/- 0.96   0.446% *  0.6467% (0.41   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HN    ASP-  44  16.35 +/- 1.91   0.167% *  1.5419% (0.98   0.02   0.02) =   0.006%
          HB3   LYS+ 121 - HN    ASP-  44  15.93 +/- 2.19   0.212% *  0.6467% (0.41   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HN    ASP-  44  16.22 +/- 1.43   0.184% *  0.4855% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.60 A violated in 10 structures by 0.92 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.71, residual support = 37.8:
      O   HB3   ASP-  44 - HN    ASP-  44   3.57 +/- 0.19  98.196% * 99.1884% (0.99  10.0   3.71  37.77) =  99.998%  kept
          QB    ALA   84 - HN    ASP-  44   9.21 +/- 0.50   0.359% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  44   9.53 +/- 0.98   0.319% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  44   9.81 +/- 0.94   0.287% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44   9.56 +/- 0.80   0.310% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44   9.64 +/- 0.82   0.285% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  11.10 +/- 0.67   0.118% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  11.93 +/- 0.45   0.076% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.39 +/- 0.50   0.016% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  17.72 +/- 1.39   0.008% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.93 +/- 1.31   0.005% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  18.78 +/- 1.95   0.008% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.69 +/- 0.34   0.005% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.61 +/- 0.68   0.007% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.17, residual support = 15.2:
          QG1   VAL   43 - HN    ASP-  44   4.38 +/- 0.12  79.089% * 97.7623% (0.90   4.17  15.22) =  99.872%  kept
          QG2   THR   46 - HN    ASP-  44   6.54 +/- 0.78   9.429% *  0.5178% (0.99   0.02   0.02) =   0.063%
          QG2   VAL   18 - HN    ASP-  44   6.84 +/- 0.84   7.232% *  0.5212% (1.00   0.02   0.02) =   0.049%
          QD1   ILE   19 - HN    ASP-  44   8.56 +/- 0.55   1.562% *  0.3992% (0.76   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    ASP-  44   8.84 +/- 0.34   1.228% *  0.3793% (0.73   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    ASP-  44   8.97 +/- 0.82   1.292% *  0.1034% (0.20   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ASP-  44  12.48 +/- 0.85   0.168% *  0.3168% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.71, residual support = 15.2:
          QG2   VAL   43 - HN    ASP-  44   3.01 +/- 0.32  97.283% * 99.0025% (0.65   3.71  15.22) =  99.989%  kept
          QD2   LEU   31 - HN    ASP-  44   6.49 +/- 0.57   1.259% *  0.6310% (0.76   0.02   0.02) =   0.008%
          QD1   ILE   89 - HN    ASP-  44   6.89 +/- 0.39   1.013% *  0.1117% (0.14   0.02   0.02) =   0.001%
          QG2   VAL   83 - HN    ASP-  44   7.93 +/- 0.79   0.444% *  0.2548% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.524, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.33 +/- 0.10  96.053% * 36.5033% (0.53   0.02   0.02) =  97.017%  kept
          HA    THR   23 - HN    VAL   43  15.06 +/- 0.60   2.819% * 21.4145% (0.31   0.02   0.02) =   1.671%  kept
          HA    ASP-  78 - HN    VAL   43  17.50 +/- 0.36   1.127% * 42.0822% (0.61   0.02   0.02) =   1.313%  kept
    Distance limit 4.50 A violated in 20 structures by 3.78 A, eliminated.
    Peak unassigned.
 
    Peak 1011 (5.33, 9.16, 125.94 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.5, residual support = 16.4:
          HA    MET   96 - HN    VAL   43   4.67 +/- 0.35 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.50 A violated in 1 structures by 0.22 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 16.4:
          HB2   MET   96 - HN    VAL   43   3.22 +/- 0.50  99.356% * 97.4132% (0.97   2.96  16.41) =  99.997%  kept
          HB    VAL   70 - HN    VAL   43   8.82 +/- 0.62   0.362% *  0.6123% (0.90   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    VAL   43   9.66 +/- 0.83   0.197% *  0.1898% (0.28   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    VAL   43  13.38 +/- 0.69   0.028% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  13.43 +/- 1.07   0.029% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.01 +/- 0.54   0.022% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  16.84 +/- 0.44   0.007% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.22, residual support = 60.4:
      O   HB    VAL   43 - HN    VAL   43   2.87 +/- 0.24  99.883% * 99.7821% (0.87  10.0   4.22  60.40) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.26 +/- 0.55   0.056% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  10.63 +/- 0.70   0.053% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  16.91 +/- 0.74   0.003% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  15.71 +/- 0.74   0.004% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.816, support = 4.97, residual support = 34.5:
          HB    VAL   42 - HN    VAL   43   4.51 +/- 0.10  49.039% * 60.8350% (0.84   5.50  38.90) =  86.377%  kept
          HB3   LEU   73 - HN    VAL   43   6.05 +/- 1.03  12.792% * 21.1248% (0.90   1.78   8.77) =   7.824%  kept
          HG    LEU   98 - HN    VAL   43   5.70 +/- 0.97  17.889% *  8.2013% (0.49   1.27   0.02) =   4.248%  kept
          HB3   ASP-  44 - HN    VAL   43   6.49 +/- 0.39   6.054% *  7.3447% (0.25   2.22  15.22) =   1.287%  kept
          QB    LEU   98 - HN    VAL   43   5.99 +/- 0.69  11.872% *  0.7293% (0.18   0.31   0.02) =   0.251%
          HG3   LYS+ 106 - HN    VAL   43   8.60 +/- 0.42   1.060% *  0.2642% (1.00   0.02   0.02) =   0.008%
          QB    ALA   84 - HN    VAL   43  10.74 +/- 0.51   0.280% *  0.1606% (0.61   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   43  11.59 +/- 0.46   0.176% *  0.1713% (0.65   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    VAL   43   9.64 +/- 0.90   0.602% *  0.0464% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    VAL   43  12.94 +/- 0.66   0.094% *  0.2024% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.60 +/- 0.70   0.066% *  0.2444% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.82 +/- 1.20   0.030% *  0.2212% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.64 +/- 1.91   0.018% *  0.2556% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  17.04 +/- 2.03   0.020% *  0.0994% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  19.37 +/- 1.91   0.009% *  0.0994% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 5.17, residual support = 60.4:
          QG1   VAL   43 - HN    VAL   43   2.19 +/- 0.24  99.680% * 98.1851% (0.90   5.17  60.40) =  99.999%  kept
          QG1   VAL   41 - HN    VAL   43   6.44 +/- 0.34   0.180% *  0.3076% (0.73   0.02   1.29) =   0.001%
          QG2   VAL   18 - HN    VAL   43   9.26 +/- 0.67   0.026% *  0.4227% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   8.94 +/- 0.90   0.031% *  0.2570% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43   9.91 +/- 0.86   0.018% *  0.4199% (0.99   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43   9.83 +/- 0.75   0.014% *  0.3238% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   8.09 +/- 0.97   0.052% *  0.0838% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.671, support = 1.9, residual support = 2.67:
          QG2   VAL   41 - HN    VAL   43   4.76 +/- 0.60  23.248% * 79.5841% (0.73   2.18   1.29) =  80.102%  kept
          QD1   LEU   73 - HN    VAL   43   4.69 +/- 0.67  24.480% * 17.5963% (0.45   0.78   8.77) =  18.649%  kept
          QD2   LEU   98 - HN    VAL   43   4.41 +/- 1.03  43.587% *  0.5279% (0.53   0.02   0.02) =   0.996%  kept
          QD2   LEU   63 - HN    VAL   43   6.84 +/- 0.97   3.767% *  0.9835% (0.98   0.02   0.02) =   0.160%
          QD1   LEU   63 - HN    VAL   43   6.42 +/- 0.67   4.423% *  0.4498% (0.45   0.02   0.02) =   0.086%
          QD1   LEU   80 - HN    VAL   43  11.16 +/- 1.14   0.165% *  0.5279% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   43   9.98 +/- 0.80   0.241% *  0.1548% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   43  12.19 +/- 1.48   0.088% *  0.1757% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.11, residual support = 38.9:
          QG1   VAL   42 - HN    VAL   43   2.98 +/- 0.26  99.833% * 99.2416% (0.97   5.11  38.90) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   9.13 +/- 1.03   0.148% *  0.0797% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  13.07 +/- 0.30   0.016% *  0.4019% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  17.95 +/- 1.84   0.003% *  0.2767% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.809, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   5.97 +/- 0.64  61.486% * 27.6841% (0.73   0.02   0.02) =  55.969%  kept
          QD1   ILE   89 - HN    VAL   43   6.68 +/- 0.40  32.860% * 34.1913% (0.90   0.02   0.02) =  36.943%  kept
          QG2   VAL   83 - HN    VAL   43   9.05 +/- 0.80   5.654% * 38.1246% (1.00   0.02   0.02) =   7.088%  kept
    Distance limit 3.99 A violated in 20 structures by 1.45 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.699, support = 4.9, residual support = 16.2:
          HB    VAL   41 - HN    VAL   42   4.07 +/- 0.39  21.021% * 85.5084% (0.97   5.61  22.12) =  64.182%  kept
          HB2   LEU   71 - HN    VAL   42   3.04 +/- 0.46  78.712% * 12.7436% (0.22   3.63   5.64) =  35.817%  kept
          HG12  ILE  103 - HN    VAL   42   9.84 +/- 0.76   0.085% *  0.3158% (1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    VAL   42  11.17 +/- 1.02   0.043% *  0.2638% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   42  11.39 +/- 0.78   0.031% *  0.1077% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  11.10 +/- 0.90   0.040% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.43 +/- 1.26   0.024% *  0.0703% (0.22   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.96 +/- 0.47   0.023% *  0.0625% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  13.29 +/- 0.40   0.013% *  0.0787% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  17.72 +/- 2.40   0.002% *  0.2832% (0.90   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.17 +/- 0.73   0.004% *  0.1788% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  21.53 +/- 0.75   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  22.01 +/- 2.17   0.001% *  0.0553% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.65, residual support = 87.6:
      O   HB    VAL   42 - HN    VAL   42   2.36 +/- 0.12  98.377% * 99.1706% (0.98  10.0   5.65  87.61) =  99.999%  kept
          HB3   LEU   73 - HN    VAL   42   5.70 +/- 0.70   0.714% *  0.0957% (0.95   1.0   0.02   1.80) =   0.001%
          QB    LEU   98 - HN    VAL   42   5.94 +/- 0.68   0.518% *  0.0573% (0.57   1.0   0.02   0.71) =   0.000%
          HG    LEU   98 - HN    VAL   42   6.66 +/- 0.87   0.323% *  0.0137% (0.14   1.0   0.02   0.71) =   0.000%
          HG3   LYS+  33 - HN    VAL   42   9.04 +/- 0.52   0.035% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.78 +/- 0.43   0.007% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.81 +/- 0.61   0.012% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.68 +/- 0.80   0.003% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  15.36 +/- 0.86   0.001% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  16.22 +/- 1.99   0.001% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  13.50 +/- 0.49   0.003% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  15.86 +/- 3.08   0.001% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  15.04 +/- 0.52   0.002% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  14.54 +/- 0.93   0.002% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  21.68 +/- 2.11   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 0.89, residual support = 1.22:
          QD1   LEU   40 - HN    VAL   42   4.48 +/- 0.65  93.005% * 97.1382% (0.98   0.89   1.22) =  99.863%  kept
          QD2   LEU   67 - HN    VAL   42   7.98 +/- 1.42   6.887% *  1.7798% (0.80   0.02   0.02) =   0.135%
          QG1   VAL  108 - HN    VAL   42  14.41 +/- 0.64   0.108% *  1.0819% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 1 structures by 0.31 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.833, support = 4.66, residual support = 32.6:
          QG1   VAL   43 - HN    VAL   42   3.93 +/- 0.20  58.902% * 49.4826% (0.90   4.28  38.90) =  62.577%  kept
          QG1   VAL   41 - HN    VAL   42   4.29 +/- 0.20  35.127% * 49.6000% (0.73   5.30  22.12) =  37.407%  kept
          QD1   ILE   19 - HN    VAL   42   7.41 +/- 0.95   1.744% *  0.1971% (0.76   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    VAL   42   6.84 +/- 1.04   3.076% *  0.0510% (0.20   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    VAL   42   8.79 +/- 0.68   0.569% *  0.2573% (1.00   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   42   9.07 +/- 0.92   0.490% *  0.1564% (0.61   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    VAL   42  11.73 +/- 0.77   0.092% *  0.2556% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 5.31, residual support = 20.2:
          QG2   VAL   41 - HN    VAL   42   3.13 +/- 0.43  51.479% * 87.9772% (0.73   5.75  22.12) =  90.439%  kept
          QD1   LEU   73 - HN    VAL   42   3.32 +/- 0.82  44.076% * 10.8390% (0.45   1.15   1.80) =   9.540%  kept
          QD2   LEU   98 - HN    VAL   42   5.11 +/- 0.75   3.609% *  0.2216% (0.53   0.02   0.71) =   0.016%
          QD2   LEU   63 - HN    VAL   42   7.25 +/- 1.02   0.473% *  0.4129% (0.98   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    VAL   42   7.76 +/- 0.83   0.315% *  0.1889% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   42  12.34 +/- 1.11   0.017% *  0.2216% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  11.09 +/- 0.79   0.024% *  0.0650% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  14.27 +/- 1.51   0.006% *  0.0738% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.39, residual support = 87.6:
          QG1   VAL   42 - HN    VAL   42   3.49 +/- 0.18  99.985% * 99.2514% (0.87   5.39  87.61) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.78 +/- 0.31   0.012% *  0.3247% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  20.85 +/- 2.09   0.003% *  0.4239% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1025 (0.15, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.592, support = 5.16, residual support = 85.0:
          QG2   VAL   42 - HN    VAL   42   3.23 +/- 0.23  65.893% * 94.0131% (0.61   5.28  87.61) =  96.978%  kept
          QG2   VAL   70 - HN    VAL   42   3.66 +/- 0.29  33.711% *  5.7235% (0.14   1.44   1.37) =   3.021%  kept
          QG2   VAL   75 - HN    VAL   42   7.67 +/- 0.33   0.396% *  0.2634% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.51, residual support = 73.8:
      O   HB    VAL   41 - HN    VAL   41   2.80 +/- 0.36  97.083% * 99.3523% (0.90  10.0   4.51  73.83) =  99.998%  kept
          HB2   LEU   71 - HN    VAL   41   5.39 +/- 0.49   2.271% *  0.0672% (0.61   1.0   0.02   4.41) =   0.002%
          QB    LYS+ 102 - HN    VAL   41   8.01 +/- 1.05   0.333% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   41   7.97 +/- 0.68   0.281% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  12.41 +/- 1.06   0.020% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  15.51 +/- 0.69   0.005% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  18.12 +/- 3.14   0.003% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  18.87 +/- 0.63   0.001% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  16.84 +/- 1.21   0.003% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  24.35 +/- 0.80   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.175, support = 3.77, residual support = 19.7:
          HG    LEU   40 - HN    VAL   41   3.69 +/- 0.56  97.364% * 77.0318% (0.18   3.78  19.75) =  99.869%  kept
          HG    LEU   73 - HN    VAL   41   8.21 +/- 0.89   1.293% *  5.8603% (0.61   0.08   0.02) =   0.101%
          HB3   LEU   67 - HN    VAL   41  11.19 +/- 2.15   0.434% *  2.2016% (0.95   0.02   0.02) =   0.013%
          HG2   LYS+ 102 - HN    VAL   41   9.47 +/- 1.30   0.508% *  1.1329% (0.49   0.02   0.02) =   0.008%
          HG12  ILE   19 - HN    VAL   41  11.64 +/- 1.45   0.170% *  2.0873% (0.90   0.02   0.02) =   0.005%
          QG    LYS+  66 - HN    VAL   41  13.64 +/- 1.55   0.088% *  1.8636% (0.80   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    VAL   41  15.64 +/- 0.71   0.025% *  2.3222% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  15.05 +/- 3.81   0.044% *  0.7939% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   41  16.73 +/- 1.14   0.015% *  2.2461% (0.97   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  18.22 +/- 1.05   0.009% *  2.2016% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  15.10 +/- 0.57   0.027% *  0.7183% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  17.36 +/- 0.93   0.011% *  1.1329% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  17.83 +/- 1.61   0.012% *  0.4076% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.87, support = 1.46, residual support = 9.04:
          QB    ALA   34 - HN    VAL   41   3.95 +/- 0.29  87.058% * 73.7385% (0.90   1.46   9.44) =  95.742%  kept
          QG2   THR   39 - HN    VAL   41   5.59 +/- 0.40  12.303% * 23.1776% (0.28   1.48   0.02) =   4.253%  kept
          HG3   LYS+  38 - HN    VAL   41   9.48 +/- 0.96   0.563% *  0.5913% (0.53   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    VAL   41  16.13 +/- 2.18   0.024% *  0.8161% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    VAL   41  17.07 +/- 0.69   0.015% *  1.1139% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  15.56 +/- 0.51   0.025% *  0.2502% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  17.62 +/- 0.56   0.012% *  0.3125% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.56, residual support = 19.8:
          QD2   LEU   40 - HN    VAL   41   2.48 +/- 0.55  99.104% * 97.7750% (0.92   4.56  19.75) =  99.997%  kept
          QD2   LEU   71 - HN    VAL   41   7.10 +/- 0.48   0.320% *  0.3005% (0.65   0.02   4.41) =   0.001%
          QD1   LEU   67 - HN    VAL   41   8.88 +/- 1.69   0.190% *  0.4394% (0.95   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   41   8.26 +/- 0.33   0.147% *  0.4604% (0.99   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   8.14 +/- 0.86   0.220% *  0.2444% (0.53   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    VAL   41  13.45 +/- 2.54   0.010% *  0.1584% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  16.04 +/- 0.70   0.002% *  0.4635% (1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  13.76 +/- 0.49   0.006% *  0.1584% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 73.8:
          QG1   VAL   41 - HN    VAL   41   2.16 +/- 0.33  98.556% * 98.1881% (1.00   4.49  73.83) =  99.996%  kept
          QG1   VAL   43 - HN    VAL   41   5.56 +/- 0.27   0.594% *  0.4139% (0.95   0.02   1.29) =   0.003%
          QD2   LEU  104 - HN    VAL   41   6.35 +/- 0.93   0.628% *  0.0866% (0.20   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    VAL   41   7.79 +/- 1.29   0.111% *  0.2654% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    VAL   41   7.32 +/- 0.53   0.086% *  0.1962% (0.45   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  10.19 +/- 1.00   0.017% *  0.1350% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  12.31 +/- 0.74   0.004% *  0.3344% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  15.08 +/- 0.76   0.001% *  0.2830% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  15.64 +/- 1.92   0.001% *  0.0974% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.707, support = 4.09, residual support = 69.6:
          QG2   VAL   41 - HN    VAL   41   3.54 +/- 0.54  67.960% * 78.9305% (0.73   4.35  73.83) =  90.663%  kept
          QD2   LEU   98 - HN    VAL   41   4.34 +/- 0.50  27.985% * 19.7050% (0.53   1.50  28.82) =   9.320%  kept
          QD1   LEU   73 - HN    VAL   41   6.17 +/- 0.63   3.372% *  0.2239% (0.45   0.02   0.02) =   0.013%
          QD2   LEU   63 - HN    VAL   41   8.96 +/- 1.10   0.407% *  0.4895% (0.98   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    VAL   41   9.85 +/- 0.99   0.222% *  0.2239% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  14.90 +/- 1.03   0.016% *  0.2627% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  13.58 +/- 0.78   0.025% *  0.0771% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  15.72 +/- 1.48   0.013% *  0.0875% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 2.72, residual support = 2.72:
          QG2   VAL   70 - HN    VAL   41   4.53 +/- 0.42  99.018% * 98.4493% (0.18   2.72   2.72) =  99.984%  kept
          QG2   THR  118 - HN    VAL   41  10.73 +/- 2.89   0.982% *  1.5507% (0.38   0.02   0.02) =   0.016%
    Distance limit 4.80 A violated in 0 structures by 0.07 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.312, support = 1.54, residual support = 34.7:
          HA    VAL   70 - HN    LEU   40   3.42 +/- 0.73  96.430% * 38.0547% (0.28   1.59  36.65) =  94.653%  kept
          HB2   SER   37 - HN    LEU   40   6.53 +/- 0.43   3.465% * 59.7727% (0.92   0.75   0.02) =   5.343%  kept
          HA1   GLY   16 - HN    LEU   40  11.81 +/- 2.09   0.099% *  1.6925% (0.98   0.02   0.02) =   0.004%
          HA    GLN  116 - HN    LEU   40  19.24 +/- 1.76   0.006% *  0.4801% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.92, residual support = 23.7:
          HB    THR   39 - HN    LEU   40   3.76 +/- 0.19  97.482% * 94.9795% (0.41   3.92  23.65) =  99.990%  kept
          HB3   SER   37 - HN    LEU   40   7.20 +/- 0.48   2.331% *  0.3276% (0.28   0.02   0.02) =   0.008%
          HA    GLN   30 - HN    LEU   40  11.72 +/- 0.62   0.119% *  1.1146% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  14.17 +/- 1.95   0.061% *  0.5283% (0.45   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  20.90 +/- 0.47   0.003% *  0.3276% (0.28   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    LEU   40  23.75 +/- 0.59   0.002% *  0.6671% (0.57   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  25.18 +/- 1.44   0.001% *  0.9005% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  27.93 +/- 0.65   0.001% *  1.1549% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.564, support = 0.967, residual support = 12.5:
          QE    LYS+  99 - HN    LEU   40   3.98 +/- 0.71  98.122% * 59.6811% (0.57   0.97  12.59) =  99.370%  kept
          QE    LYS+  38 - HN    LEU   40   9.15 +/- 0.57   1.062% * 33.6857% (0.31   1.00   0.02) =   0.607%  kept
          HB2   PHE   97 - HN    LEU   40   9.93 +/- 0.91   0.536% *  2.1051% (0.97   0.02   1.90) =   0.019%
          QE    LYS+ 106 - HN    LEU   40  14.43 +/- 1.16   0.064% *  1.2349% (0.57   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    LEU   40  15.82 +/- 0.69   0.036% *  2.1381% (0.98   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   40  12.84 +/- 0.99   0.151% *  0.3366% (0.15   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    LEU   40  17.03 +/- 1.47   0.030% *  0.8186% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.72, residual support = 103.9:
      O   HB2   LEU   40 - HN    LEU   40   2.57 +/- 0.42  99.982% * 99.7221% (0.97  10.0   4.72 103.90) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.78 +/- 0.44   0.007% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  14.77 +/- 1.62   0.006% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  14.55 +/- 1.41   0.005% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  20.53 +/- 2.62   0.001% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  27.41 +/- 1.72   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.615, support = 4.93, residual support = 103.9:
      O   HB3   LEU   40 - HN    LEU   40   2.45 +/- 0.34  93.660% * 68.9681% (0.61  10.0   4.90 103.90) =  97.193%  kept
          HG    LEU   40 - HN    LEU   40   4.16 +/- 0.43   6.125% * 30.4610% (0.92   1.0   5.80 103.90) =   2.807%  kept
          HG    LEU   67 - HN    LEU   40   9.34 +/- 1.48   0.054% *  0.1115% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   9.18 +/- 2.02   0.100% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40  10.27 +/- 1.09   0.025% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  12.05 +/- 1.79   0.015% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.07 +/- 1.55   0.018% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  15.36 +/- 2.43   0.003% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  19.38 +/- 1.33   0.000% *  0.1050% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.51 +/- 1.30   0.000% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.316, support = 3.56, residual support = 22.2:
          QG2   THR   39 - HN    LEU   40   2.54 +/- 0.54  95.646% * 39.1749% (0.28   3.68  23.65) =  93.869%  kept
          QB    ALA   34 - HN    LEU   40   4.70 +/- 0.29   4.166% * 58.7248% (0.90   1.71   0.11) =   6.129%  kept
          HG3   LYS+  38 - HN    LEU   40   8.32 +/- 0.51   0.183% *  0.4027% (0.53   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    LEU   40  17.44 +/- 1.86   0.002% *  0.5558% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  19.02 +/- 0.89   0.001% *  0.7586% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.33 +/- 0.48   0.001% *  0.1704% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  20.62 +/- 0.54   0.001% *  0.2128% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.43, residual support = 33.6:
          QG1   VAL   70 - HN    LEU   40   4.25 +/- 0.76  83.855% * 63.0750% (0.84   1.50  36.65) =  91.321%  kept
          QD1   LEU   71 - HN    LEU   40   6.22 +/- 0.91  14.742% * 34.0264% (0.98   0.69   1.50) =   8.661%  kept
          HB3   LEU  104 - HN    LEU   40  10.18 +/- 0.73   0.527% *  0.9294% (0.92   0.02   0.02) =   0.008%
          QD1   LEU  123 - HN    LEU   40  13.13 +/- 3.40   0.253% *  0.9869% (0.98   0.02   0.02) =   0.004%
          QG1   VAL   18 - HN    LEU   40  11.22 +/- 1.04   0.325% *  0.7311% (0.73   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    LEU   40  11.76 +/- 1.40   0.298% *  0.2511% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.551, support = 4.77, residual support = 98.2:
          QD2   LEU   40 - HN    LEU   40   4.13 +/- 0.19  83.822% * 70.0261% (0.53   4.99 103.90) =  94.393%  kept
          QD2   LEU   71 - HN    LEU   40   5.91 +/- 0.80  12.419% * 27.9798% (0.98   1.07   1.50) =   5.588%  kept
          QD1   LEU   67 - HN    LEU   40   7.81 +/- 1.31   3.184% *  0.3018% (0.57   0.02   0.02) =   0.015%
          QD1   ILE  103 - HN    LEU   40  11.65 +/- 0.89   0.205% *  0.4920% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  11.24 +/- 0.53   0.234% *  0.3661% (0.69   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    LEU   40  13.26 +/- 2.69   0.121% *  0.4073% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.51 +/- 1.01   0.015% *  0.4268% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.05, residual support = 36.6:
          QG2   VAL   70 - HN    LEU   40   3.72 +/- 0.16 100.000% *100.0000% (0.57   6.05  36.65) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.235, support = 1.93, residual support = 8.83:
          HA    ALA   34 - HN    THR   39   2.68 +/- 0.41  99.321% * 22.6514% (0.22   1.93   9.03) =  97.863%  kept
          HA    GLU-  36 - HN    THR   39   6.49 +/- 0.06   0.667% * 73.6908% (0.80   1.75   0.02) =   2.137%  kept
          HA    ASN   28 - HN    THR   39  12.82 +/- 0.34   0.011% *  0.3950% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  20.15 +/- 5.33   0.002% *  1.0158% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  25.53 +/- 0.39   0.000% *  0.9440% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  22.39 +/- 1.53   0.000% *  0.3590% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  28.40 +/- 1.85   0.000% *  0.9440% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.856, support = 2.73, residual support = 6.02:
          HA    SER   37 - HN    THR   39   4.31 +/- 0.05  81.551% * 51.5796% (0.90   2.63   2.59) =  83.720%  kept
          HA    LEU   40 - HN    THR   39   5.57 +/- 0.06  17.631% * 46.3821% (0.65   3.28  23.65) =  16.276%  kept
          HA    GLU-  15 - HN    THR   39  11.56 +/- 1.30   0.287% *  0.3657% (0.84   0.02   0.02) =   0.002%
          HA    SER   13 - HN    THR   39  13.64 +/- 2.22   0.140% *  0.3657% (0.84   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  10.79 +/- 0.22   0.334% *  0.1494% (0.34   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   39  15.38 +/- 1.51   0.051% *  0.3927% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.07 +/- 0.41   0.003% *  0.4142% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.76 +/- 0.94   0.003% *  0.3506% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.408, support = 3.57, residual support = 36.4:
      O   HB    THR   39 - HN    THR   39   2.66 +/- 0.15  71.901% * 92.6730% (0.41  10.0   3.61  37.34) =  97.365%  kept
          HB3   SER   37 - HN    THR   39   3.25 +/- 0.48  28.051% *  6.4291% (0.28   1.0   2.05   2.59) =   2.635%  kept
          HA    GLN   30 - HN    THR   39   9.81 +/- 0.53   0.032% *  0.2132% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  12.61 +/- 2.30   0.015% *  0.1011% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  25.10 +/- 1.52   0.000% *  0.1723% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  22.95 +/- 0.39   0.000% *  0.0627% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    THR   39  26.48 +/- 0.65   0.000% *  0.1276% (0.57   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  30.66 +/- 0.69   0.000% *  0.2210% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.724, support = 3.16, residual support = 24.2:
          QG2   THR   39 - HN    THR   39   3.35 +/- 0.53  55.378% * 20.4786% (0.49   3.63  37.34) =  49.942%  kept
          QB    ALA   34 - HN    THR   39   3.58 +/- 0.18  41.334% * 23.1067% (1.00   2.00   9.03) =  42.061%  kept
          HG3   LYS+  38 - HN    THR   39   5.44 +/- 0.23   3.252% * 55.8414% (0.76   6.31  22.48) =   7.997%  kept
          HG13  ILE   19 - HN    THR   39  12.31 +/- 1.08   0.031% *  0.0458% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  18.24 +/- 0.85   0.002% *  0.2009% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  20.32 +/- 1.85   0.001% *  0.2138% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  22.85 +/- 0.47   0.001% *  0.1127% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.62, residual support = 217.5:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.00  99.802% * 99.7734% (0.80  10.0   6.62 217.50) = 100.000%  kept
          HA    GLU- 100 - HN    LYS+  38   6.71 +/- 0.99   0.198% *  0.0705% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  18.48 +/- 0.37   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  21.85 +/- 0.90   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.50 +/- 1.03   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 217.5:
      O   HB2   LYS+  38 - HN    LYS+  38   3.31 +/- 0.03  99.890% * 99.7624% (1.00  10.0   5.63 217.50) = 100.000%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.62 +/- 0.68   0.014% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  11.86 +/- 0.54   0.050% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  13.04 +/- 0.69   0.029% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  14.99 +/- 1.31   0.014% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.80 +/- 0.36   0.003% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  28.79 +/- 0.73   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.21, residual support = 217.5:
      O   HB3   LYS+  38 - HN    LYS+  38   4.09 +/- 0.01  94.075% * 99.4497% (0.90  10.0   5.21 217.50) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.61 +/- 0.41   5.718% *  0.0219% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    LYS+  38  11.79 +/- 0.31   0.166% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  17.66 +/- 0.55   0.015% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  18.03 +/- 2.46   0.021% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  27.51 +/- 0.67   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  28.02 +/- 0.94   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  27.53 +/- 1.22   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  25.16 +/- 0.50   0.002% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  29.00 +/- 0.79   0.001% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.85, residual support = 217.5:
          HG2   LYS+  38 - HN    LYS+  38   3.19 +/- 0.07  99.536% * 98.4032% (0.65   5.85 217.50) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.50 +/- 0.77   0.326% *  0.2734% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.64 +/- 0.35   0.133% *  0.1157% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  20.68 +/- 0.64   0.001% *  0.4915% (0.95   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.89 +/- 0.50   0.001% *  0.4915% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  18.56 +/- 0.79   0.003% *  0.0802% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.07 +/- 2.32   0.000% *  0.1445% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.42, residual support = 26.6:
      O   HB3   SER   37 - HN    SER   37   2.58 +/- 0.32  97.603% * 99.5080% (0.99  10.0   3.42  26.64) =  99.998%  kept
          HB    THR   39 - HN    SER   37   5.06 +/- 0.14   2.300% *  0.0995% (0.99   1.0   0.02   2.59) =   0.002%
          QB    SER   13 - HN    SER   37  12.12 +/- 2.56   0.024% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   37   9.01 +/- 0.44   0.073% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  24.34 +/- 0.48   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.51 +/- 2.22   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  25.00 +/- 1.58   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  32.33 +/- 0.77   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 18.8:
          QB    GLU-  36 - HN    SER   37   3.37 +/- 0.24  99.217% * 98.3047% (1.00   3.72  18.80) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   8.53 +/- 1.16   0.685% *  0.0926% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.69 +/- 0.82   0.065% *  0.4585% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.33 +/- 0.81   0.031% *  0.2573% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  23.62 +/- 1.13   0.001% *  0.5239% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  28.96 +/- 0.77   0.000% *  0.3631% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.13, residual support = 13.5:
          HG2   LYS+  38 - HN    SER   37   4.78 +/- 0.04  98.664% * 97.0724% (0.38   4.13  13.51) =  99.995%  kept
          HG2   LYS+  99 - HN    SER   37  10.08 +/- 0.75   1.266% *  0.3484% (0.28   0.02   0.02) =   0.005%
          QG2   THR   77 - HN    SER   37  20.71 +/- 0.55   0.015% *  1.2419% (0.99   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    SER   37  17.64 +/- 0.82   0.041% *  0.4274% (0.34   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  21.10 +/- 0.61   0.014% *  0.9099% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 52.1:
          HB2   ASN   35 - HN    GLU-  36   3.47 +/- 0.13  93.491% * 97.9497% (0.65   6.05  52.14) =  99.969%  kept
          QE    LYS+  33 - HN    GLU-  36   5.76 +/- 0.70   6.428% *  0.4340% (0.87   0.02   0.02) =   0.030%
          HB2   ASN   28 - HN    GLU-  36  11.42 +/- 0.34   0.075% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  19.12 +/- 0.77   0.004% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  22.31 +/- 1.24   0.001% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  26.94 +/- 0.65   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 86.8:
          HG2   GLU-  36 - HN    GLU-  36   3.47 +/- 0.53  99.989% * 99.4346% (0.97   4.85  86.76) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.14 +/- 1.16   0.010% *  0.3403% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  24.38 +/- 1.03   0.001% *  0.1595% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  30.64 +/- 1.23   0.000% *  0.0656% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.8:
      O   QB    GLU-  36 - HN    GLU-  36   2.11 +/- 0.08  99.965% * 99.6951% (0.90  10.0   7.31  86.76) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.60 +/- 1.37   0.020% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36   9.92 +/- 0.70   0.010% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.38 +/- 0.60   0.004% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  22.42 +/- 1.17   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.06 +/- 0.35   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  28.10 +/- 0.83   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.85, residual support = 86.8:
          HG3   GLU-  36 - HN    GLU-  36   4.05 +/- 0.08  99.294% * 97.3209% (0.65   4.85  86.76) =  99.998%  kept
          QG    GLU-  15 - HN    GLU-  36  11.54 +/- 2.21   0.423% *  0.2782% (0.45   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  36  15.42 +/- 2.59   0.068% *  0.5566% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  13.10 +/- 1.80   0.150% *  0.1915% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.01 +/- 0.57   0.040% *  0.1547% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  17.57 +/- 0.44   0.015% *  0.2117% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  22.50 +/- 0.57   0.003% *  0.3021% (0.49   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  25.16 +/- 1.42   0.002% *  0.4015% (0.65   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.06 +/- 1.26   0.002% *  0.3513% (0.57   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  24.21 +/- 0.47   0.002% *  0.1228% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  30.11 +/- 0.86   0.001% *  0.1087% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.256, support = 0.0199, residual support = 0.0199:
          HA2   GLY  101 - HD22  ASN   35   7.12 +/- 2.36  93.650% * 14.8773% (0.20   0.02   0.02) =  83.754%  kept
          HB2   TRP   27 - HD22  ASN   35  14.13 +/- 1.25   6.245% * 42.5614% (0.57   0.02   0.02) =  15.978%  kept
          HD2   PRO   93 - HD22  ASN   35  26.68 +/- 1.42   0.105% * 42.5614% (0.57   0.02   0.02) =   0.268%
    Distance limit 4.77 A violated in 11 structures by 2.31 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.76 +/- 0.30  99.410% * 99.5004% (0.76  10.0   3.60  55.55) =  99.999%  kept
          HB2   ASN   28 - HD22  ASN   35  10.75 +/- 0.91   0.265% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   35  10.37 +/- 0.61   0.292% *  0.0995% (0.76   1.0   0.02   0.92) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  15.53 +/- 1.40   0.030% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.44 +/- 1.67   0.002% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  26.38 +/- 1.31   0.001% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.763, support = 1.62, residual support = 6.5:
          HA    GLN   32 - HD21  ASN   35   3.56 +/- 0.65  96.943% * 61.3110% (0.76   1.62   6.57) =  98.727%  kept
          HA    LYS+  33 - HD21  ASN   35   6.82 +/- 0.66   2.301% * 33.0479% (0.69   0.97   0.92) =   1.263%  kept
          HA    GLU-  29 - HD21  ASN   35   8.40 +/- 0.69   0.654% *  0.8254% (0.83   0.02   0.02) =   0.009%
          HA    VAL   70 - HD21  ASN   35  12.39 +/- 0.98   0.082% *  0.3709% (0.38   0.02   0.02) =   0.001%
          HA    VAL   18 - HD21  ASN   35  16.94 +/- 1.22   0.011% *  0.8572% (0.87   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  20.85 +/- 1.15   0.004% *  0.7913% (0.80   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  21.29 +/- 1.25   0.003% *  0.9122% (0.92   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  27.60 +/- 1.46   0.001% *  0.9537% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  26.74 +/- 1.51   0.001% *  0.3709% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  29.17 +/- 1.25   0.000% *  0.5595% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD21  ASN   35   2.77 +/- 0.62  99.650% * 99.3188% (0.61  10.0   3.60  55.55) =  99.999%  kept
          QE    LYS+  33 - HD21  ASN   35   9.10 +/- 0.72   0.216% *  0.1469% (0.90   1.0   0.02   0.92) =   0.000%
          HB2   ASN   28 - HD21  ASN   35   9.68 +/- 0.62   0.126% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  15.42 +/- 1.11   0.007% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  23.67 +/- 1.68   0.001% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  25.51 +/- 0.92   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 4.15, residual support = 44.2:
      O   HA    GLN   32 - HN    GLN   32   2.72 +/- 0.03  77.429% * 97.8227% (0.65  10.0   4.16  44.35) =  99.634%  kept
          HA    GLU-  29 - HN    GLN   32   3.39 +/- 0.15  21.106% *  1.3105% (0.92   1.0   0.19   0.02) =   0.364%
          HA    LYS+  33 - HN    GLN   32   5.29 +/- 0.07   1.450% *  0.1211% (0.80   1.0   0.02  11.53) =   0.002%
          HA    VAL   18 - HN    GLN   32  13.98 +/- 0.70   0.004% *  0.1430% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  12.59 +/- 0.44   0.008% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  18.37 +/- 1.27   0.001% *  0.1482% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  19.97 +/- 0.77   0.001% *  0.1039% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  23.77 +/- 1.18   0.000% *  0.1356% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  26.66 +/- 1.23   0.000% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  26.51 +/- 0.60   0.000% *  0.0678% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.6, residual support = 150.5:
      O   HA    LYS+  33 - HN    LYS+  33   2.85 +/- 0.02  95.151% * 99.4322% (0.87  10.0   5.60 150.46) =  99.996%  kept
          HA    GLU-  29 - HN    LYS+  33   4.86 +/- 0.45   4.549% *  0.0832% (0.73   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    LYS+  33   7.97 +/- 0.77   0.248% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  10.93 +/- 0.37   0.031% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  12.77 +/- 0.86   0.013% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  15.10 +/- 1.90   0.006% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  20.66 +/- 1.28   0.001% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  26.27 +/- 1.21   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  24.48 +/- 1.27   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.458, support = 3.47, residual support = 20.1:
      O   HA    ASN   28 - HN    GLU-  29   3.64 +/- 0.01  25.592% * 72.7517% (0.18  10.0   5.09  32.53) =  60.097%  kept
          HA    THR   26 - HN    GLU-  29   3.17 +/- 0.18  59.700% * 18.9505% (0.95   1.0   0.96   1.48) =  36.517%  kept
          HA    GLU-  25 - HN    GLU-  29   4.11 +/- 0.33  14.647% *  7.1603% (0.22   1.0   1.55   0.02) =   3.385%  kept
          HA    ILE   19 - HN    GLU-  29  11.68 +/- 0.74   0.024% *  0.1708% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU-  29  11.32 +/- 0.28   0.029% *  0.1282% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  15.50 +/- 2.53   0.007% *  0.2022% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    GLU-  29  23.66 +/- 0.67   0.000% *  0.2854% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.20 +/- 0.96   0.000% *  0.2687% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.13 +/- 1.26   0.000% *  0.0822% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.88, residual support = 94.2:
      O   HB2   ASN   28 - HD22  ASN   28   3.50 +/- 0.20  99.112% * 99.6000% (0.95  10.0   3.88  94.16) =  99.999%  kept
          HB2   ASP-  86 - HD22  ASN   28   8.32 +/- 0.59   0.678% *  0.0996% (0.95   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   28  11.64 +/- 1.37   0.107% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  11.56 +/- 1.21   0.090% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  15.96 +/- 0.66   0.013% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  22.52 +/- 1.73   0.002% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.16, residual support = 155.3:
      O   HG2   GLN   30 - HE21  GLN   30   3.90 +/- 0.28  99.527% * 99.8337% (0.61  10.0   4.16 155.27) =  99.999%  kept
          HB3   ASN   28 - HE21  GLN   30   9.71 +/- 1.15   0.467% *  0.1375% (0.84   1.0   0.02   8.24) =   0.001%
          QE    LYS+ 121 - HE21  GLN   30  20.84 +/- 2.62   0.006% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.14, residual support = 155.3:
      O   HG2   GLN   30 - HE22  GLN   30   3.52 +/- 0.48  99.449% * 99.8337% (0.61  10.0   4.14 155.27) =  99.999%  kept
          HB3   ASN   28 - HE22  GLN   30   8.88 +/- 0.87   0.547% *  0.1375% (0.84   1.0   0.02   8.24) =   0.001%
          QE    LYS+ 121 - HE22  GLN   30  20.49 +/- 2.52   0.004% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.59, residual support = 94.2:
      O   HB3   ASN   28 - HD22  ASN   28   3.14 +/- 0.28  99.230% * 99.7665% (0.90  10.0   3.59  94.16) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   7.13 +/- 0.51   0.768% *  0.1110% (1.00   1.0   0.02   8.24) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  22.06 +/- 2.42   0.001% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  22.42 +/- 2.95   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.3, residual support = 11.9:
          QG2   VAL   24 - HD22  ASN   28   3.34 +/- 0.58  99.988% * 97.3652% (0.97   1.30  11.89) = 100.000%  kept
          HG    LEU   63 - HD22  ASN   28  19.17 +/- 1.36   0.004% *  1.3515% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HD22  ASN   28  17.03 +/- 0.82   0.008% *  0.5848% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  28.21 +/- 1.73   0.000% *  0.6985% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.95, residual support = 91.5:
      O   HA    GLU-  29 - HN    GLU-  29   2.70 +/- 0.01  99.651% * 99.3483% (0.84  10.0   5.95  91.51) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.11 +/- 0.48   0.071% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.29 +/- 0.22   0.260% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.27 +/- 0.72   0.005% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  15.02 +/- 1.38   0.004% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  15.82 +/- 0.49   0.003% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.54 +/- 0.84   0.004% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  20.86 +/- 1.38   0.001% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  18.92 +/- 0.58   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  27.96 +/- 1.23   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 32.5:
          HB2   ASN   28 - HN    GLU-  29   2.29 +/- 0.09  99.908% * 98.6776% (0.97   5.88  32.53) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   9.13 +/- 1.76   0.075% *  0.3119% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.56 +/- 0.83   0.012% *  0.2110% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  12.63 +/- 0.61   0.004% *  0.3211% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  17.90 +/- 0.71   0.000% *  0.1305% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  22.61 +/- 1.87   0.000% *  0.3478% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.68, support = 5.56, residual support = 30.6:
          HB3   ASN   28 - HN    GLU-  29   3.67 +/- 0.11  85.734% * 48.2222% (0.65   5.73  32.53) =  84.947%  kept
          HG2   GLN   30 - HN    GLU-  29   5.00 +/- 0.30  14.263% * 51.3635% (0.87   4.55  19.50) =  15.053%  kept
          QE    LYS+ 121 - HN    GLU-  29  24.29 +/- 2.33   0.001% *  0.2460% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  23.86 +/- 2.90   0.001% *  0.1682% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.32, residual support = 91.5:
          HG2   GLU-  29 - HN    GLU-  29   3.40 +/- 0.46  89.566% * 97.7234% (0.57   5.32  91.51) =  99.978%  kept
          QG    GLN   32 - HN    GLU-  29   5.91 +/- 1.17  10.384% *  0.1805% (0.28   0.02   0.02) =   0.021%
          HB3   ASP-  86 - HN    GLU-  29  12.92 +/- 0.70   0.036% *  0.2669% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  15.61 +/- 0.53   0.012% *  0.6435% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  21.59 +/- 0.69   0.002% *  0.5423% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  26.62 +/- 2.17   0.001% *  0.6435% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.588, support = 3.67, residual support = 7.29:
          HA    ASN   28 - HN    GLN   30   3.68 +/- 0.09  58.404% * 56.2071% (0.45   4.46   8.24) =  72.927%  kept
          HA    THR   26 - HN    GLN   30   4.18 +/- 0.27  29.214% * 41.6982% (0.97   1.54   4.75) =  27.062%  kept
          HA1   GLY  101 - HN    LYS+  99   4.97 +/- 0.59  11.711% *  0.0308% (0.05   0.02   1.41) =   0.008%
          HA    ALA   34 - HN    GLN   30   9.05 +/- 0.30   0.269% *  0.3636% (0.65   0.02   0.34) =   0.002%
          HA    ILE   19 - HN    GLN   30   9.62 +/- 0.59   0.200% *  0.0867% (0.15   0.02  15.00) =   0.000%
          HA1   GLY  101 - HN    GLN   30  14.25 +/- 2.54   0.029% *  0.4694% (0.84   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LYS+  99  10.28 +/- 0.54   0.129% *  0.0239% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  13.69 +/- 0.68   0.023% *  0.0166% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.04 +/- 1.25   0.001% *  0.2736% (0.49   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    GLN   30  22.10 +/- 0.69   0.001% *  0.1917% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  26.22 +/- 0.97   0.000% *  0.5317% (0.95   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  17.97 +/- 1.42   0.005% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.91 +/- 1.98   0.007% *  0.0180% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.90 +/- 0.50   0.003% *  0.0356% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.62 +/- 0.54   0.003% *  0.0057% (0.01   0.02   0.02) =   0.000%
          HA    CYSS  53 - HN    LYS+  99  22.47 +/- 0.81   0.001% *  0.0126% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.4, residual support = 19.5:
      O   HA    GLU-  29 - HN    GLN   30   3.49 +/- 0.01  96.417% * 99.3278% (1.00  10.0   5.40  19.50) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.61 +/- 0.34   0.944% *  0.0976% (0.98   1.0   0.02   0.16) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.60 +/- 0.17   2.137% *  0.0374% (0.38   1.0   0.02   1.52) =   0.001%
          HA    VAL   18 - HN    GLN   30  11.79 +/- 0.71   0.071% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.09 +/- 0.51   0.036% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  16.28 +/- 1.30   0.011% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.06 +/- 0.53   0.180% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  12.37 +/- 0.83   0.055% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  20.27 +/- 1.31   0.003% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  18.89 +/- 0.45   0.004% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.28 +/- 0.64   0.022% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.73 +/- 0.92   0.046% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.29 +/- 0.71   0.010% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.74 +/- 0.66   0.008% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  25.66 +/- 1.22   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.71 +/- 0.65   0.044% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  23.66 +/- 0.67   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.94 +/- 1.62   0.004% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  18.13 +/- 0.82   0.005% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  23.18 +/- 0.75   0.001% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.70 +/- 0.85   0.000% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.52 +/- 0.52   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (3.84, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.21, residual support = 155.3:
      O   HA    GLN   30 - HN    GLN   30   2.82 +/- 0.01  99.861% * 99.5516% (0.92  10.0   6.21 155.27) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  11.08 +/- 0.94   0.032% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  11.30 +/- 0.64   0.026% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  15.45 +/- 1.73   0.005% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  15.31 +/- 1.87   0.005% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.17 +/- 0.46   0.048% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  17.75 +/- 0.58   0.002% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.64 +/- 0.74   0.005% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    GLN   30  21.50 +/- 0.83   0.001% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.96 +/- 0.70   0.011% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  25.14 +/- 0.78   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  16.82 +/- 0.56   0.002% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  20.52 +/- 2.01   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  22.19 +/- 1.41   0.000% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    LYS+  99  23.58 +/- 0.71   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.75 +/- 0.63   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 7.07, residual support = 153.2:
          HG2   GLN   30 - HN    GLN   30   2.90 +/- 0.25  96.262% * 72.4926% (1.00   7.13 155.27) =  98.609%  kept
          HB3   ASN   28 - HN    GLN   30   5.09 +/- 0.06   3.612% * 27.2426% (0.90   2.98   8.24) =   1.391%  kept
          QE    LYS+ 121 - HN    LYS+  99  12.42 +/- 4.20   0.072% *  0.0097% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  13.22 +/- 5.25   0.042% *  0.0050% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  22.37 +/- 2.39   0.001% *  0.1481% (0.73   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  15.11 +/- 0.83   0.006% *  0.0120% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  21.32 +/- 3.05   0.001% *  0.0765% (0.38   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.99 +/- 0.73   0.004% *  0.0134% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.42, residual support = 155.3:
      O   HB3   GLN   30 - HN    GLN   30   2.21 +/- 0.10  99.051% * 98.7410% (0.69  10.0   6.42 155.27) =  99.999%  kept
          QB    LYS+  33 - HN    GLN   30   5.46 +/- 0.63   0.678% *  0.1044% (0.73   1.0   0.02   0.16) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.25 +/- 0.31   0.208% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.39 +/- 0.38   0.018% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   9.29 +/- 0.70   0.021% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.39 +/- 0.23   0.001% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.82 +/- 0.43   0.014% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  15.96 +/- 0.74   0.001% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.99 +/- 0.61   0.001% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.53 +/- 0.76   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.61 +/- 0.99   0.000% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.86 +/- 0.60   0.003% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  19.90 +/- 1.12   0.000% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  21.81 +/- 1.35   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  20.19 +/- 0.80   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.80 +/- 0.73   0.002% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.48 +/- 1.23   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.81 +/- 2.61   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  15.33 +/- 1.57   0.001% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  25.52 +/- 0.75   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.54 +/- 1.97   0.000% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.84 +/- 0.54   0.000% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  21.83 +/- 0.73   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.50 +/- 0.58   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  23.90 +/- 1.39   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.53 +/- 1.86   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.815, support = 5.15, residual support = 43.5:
          HG    LEU   31 - HN    GLN   30   4.99 +/- 0.82  29.866% * 86.2098% (0.80   5.72  48.16) =  88.490%  kept
          QD2   LEU   73 - HN    GLN   30   5.10 +/- 0.59  25.683% * 13.0207% (0.92   0.75   8.04) =  11.493%  kept
          QG1   VAL   41 - HN    LYS+  99   4.68 +/- 0.86  41.188% *  0.0062% (0.02   0.02   0.02) =   0.009%
          QG1   VAL   41 - HN    GLN   30   7.68 +/- 0.67   2.402% *  0.0938% (0.25   0.02   0.02) =   0.008%
          HG    LEU   31 - HN    LYS+  99  10.50 +/- 1.44   0.432% *  0.0198% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+  99  10.87 +/- 0.50   0.211% *  0.0228% (0.06   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  18.96 +/- 1.41   0.008% *  0.3753% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  12.76 +/- 4.74   0.189% *  0.0140% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  16.58 +/- 2.01   0.020% *  0.0247% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  24.19 +/- 2.77   0.002% *  0.2130% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.75:
          QG2   THR   26 - HN    GLN   30   4.51 +/- 0.27  85.958% * 94.2903% (0.73   2.00   4.75) =  99.981%  kept
          HB3   LEU   40 - HN    LYS+  99   6.83 +/- 1.13  12.942% *  0.0619% (0.05   0.02  12.59) =   0.010%
          HB2   LYS+  74 - HN    GLN   30  10.89 +/- 0.36   0.456% *  1.2283% (0.95   0.02   0.02) =   0.007%
          HB3   LEU   40 - HN    GLN   30  13.90 +/- 0.62   0.112% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  13.54 +/- 4.14   0.266% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  20.65 +/- 1.69   0.012% *  0.8400% (0.65   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  22.63 +/- 0.87   0.006% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  20.36 +/- 1.23   0.012% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  23.98 +/- 2.37   0.004% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  15.01 +/- 2.24   0.077% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  16.02 +/- 0.77   0.044% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  24.06 +/- 1.55   0.004% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  18.22 +/- 0.66   0.021% *  0.0807% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  16.04 +/- 1.43   0.059% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.06 +/- 1.15   0.017% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.95 +/- 0.94   0.010% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 1 structures by 0.42 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.398, support = 6.28, residual support = 155.3:
      O   HB2   GLN   30 - HN    GLN   30   3.47 +/- 0.07  67.508% * 87.8578% (0.41  10.0   6.30 155.27) =  94.632%  kept
          HG3   GLN   30 - HN    GLN   30   3.97 +/- 0.16  30.648% * 10.9772% (0.18   1.0   5.87 155.27) =   5.368%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.44 +/- 0.38   1.751% *  0.0048% (0.02   1.0   0.02  40.11) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  13.59 +/- 1.16   0.022% *  0.1124% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  15.75 +/- 0.95   0.008% *  0.0729% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  19.19 +/- 0.92   0.002% *  0.2062% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  21.61 +/- 2.65   0.002% *  0.1210% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  20.96 +/- 1.45   0.002% *  0.1382% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.11 +/- 0.69   0.025% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.70 +/- 0.46   0.008% *  0.0091% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.74 +/- 2.31   0.000% *  0.1552% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.11 +/- 1.39   0.001% *  0.0879% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  24.50 +/- 1.27   0.001% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  18.23 +/- 0.27   0.003% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  25.42 +/- 0.88   0.000% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  17.36 +/- 2.65   0.005% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.31 +/- 0.76   0.010% *  0.0025% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.47 +/- 1.47   0.001% *  0.0074% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.92 +/- 1.90   0.001% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.16 +/- 1.25   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.91 +/- 1.59   0.000% *  0.0102% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  27.46 +/- 2.60   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.915, support = 4.77, residual support = 19.5:
          HB3   GLU-  29 - HN    GLN   30   3.76 +/- 0.25  81.542% * 43.3974% (0.90   4.59  19.50) =  78.013%  kept
          HG3   GLU-  29 - HN    GLN   30   5.12 +/- 0.67  17.820% * 55.9634% (0.98   5.42  19.50) =  21.986%  kept
          QB    GLU-  36 - HN    GLN   30   9.06 +/- 0.37   0.407% *  0.1278% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  13.25 +/- 1.10   0.048% *  0.1109% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  15.10 +/- 0.25   0.018% *  0.1278% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  11.29 +/- 0.44   0.110% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  21.39 +/- 1.05   0.002% *  0.2089% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.48 +/- 0.56   0.038% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.97 +/- 0.74   0.007% *  0.0124% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.25 +/- 0.80   0.004% *  0.0136% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  21.81 +/- 0.75   0.002% *  0.0137% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.93 +/- 1.02   0.002% *  0.0073% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.15, residual support = 91.5:
      O   HB2   GLU-  29 - HN    GLU-  29   2.36 +/- 0.44  99.988% * 99.4303% (0.76  10.0   5.15  91.51) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  14.23 +/- 0.91   0.004% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  13.87 +/- 0.52   0.005% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  17.11 +/- 1.18   0.001% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  19.39 +/- 1.34   0.001% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.52 +/- 0.91   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  18.83 +/- 1.06   0.001% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  24.45 +/- 1.48   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.748, support = 5.36, residual support = 91.5:
      O   HB3   GLU-  29 - HN    GLU-  29   3.22 +/- 0.49  49.009% * 67.9315% (0.65  10.0   4.93  91.51) =  68.365%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.36 +/- 0.39  48.428% * 31.8105% (0.97   1.0   6.28  91.51) =  31.634%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.28 +/- 0.30   2.495% *  0.0142% (0.14   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  10.11 +/- 0.45   0.054% *  0.0358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  12.92 +/- 1.03   0.012% *  0.0292% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.95 +/- 0.21   0.002% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  21.53 +/- 1.10   0.001% *  0.0877% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.944, support = 3.0, residual support = 155.3:
      O   HG3   GLN   30 - HE21  GLN   30   3.63 +/- 0.45  32.800% * 85.6432% (0.99  10.0   2.67 155.27) =  75.251%  kept
          HB2   GLN   30 - HE21  GLN   30   3.24 +/- 0.68  66.617% * 13.8678% (0.80   1.0   4.01 155.27) =  24.748%  kept
          QB    GLU-  15 - HE21  GLN   30   9.06 +/- 1.79   0.432% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  10.99 +/- 0.86   0.069% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  11.84 +/- 1.22   0.063% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  16.13 +/- 1.85   0.007% *  0.0750% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  15.96 +/- 1.45   0.006% *  0.0750% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  20.55 +/- 2.53   0.001% *  0.0489% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  21.40 +/- 1.92   0.001% *  0.0692% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  17.79 +/- 2.12   0.003% *  0.0192% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  24.72 +/- 3.23   0.000% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.65 +/- 2.21   0.000% *  0.0489% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (0.72, 7.18, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.344, support = 2.12, residual support = 15.0:
          QD1   ILE   19 - HE21  GLN   30   3.42 +/- 1.29  50.587% * 69.0089% (0.41   2.13  15.00) =  71.355%  kept
          QG2   ILE   19 - HE21  GLN   30   3.25 +/- 0.48  49.260% * 28.4478% (0.18   2.07  15.00) =  28.643%  kept
          QD1   LEU   98 - HE21  GLN   30  11.50 +/- 1.10   0.043% *  1.4104% (0.90   0.02   0.02) =   0.001%
          QG2   THR   46 - HE21  GLN   30  11.77 +/- 1.82   0.103% *  0.2426% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE21  GLN   30  14.77 +/- 1.21   0.008% *  0.8903% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.32, support = 2.18, residual support = 15.0:
          QD1   ILE   19 - HE22  GLN   30   3.97 +/- 1.26  41.610% * 67.2916% (0.41   2.13  15.00) =  61.410%  kept
          QG2   ILE   19 - HE22  GLN   30   3.46 +/- 0.42  58.206% * 30.2263% (0.18   2.25  15.00) =  38.587%  kept
          QD1   LEU   98 - HE22  GLN   30  10.83 +/- 0.80   0.072% *  1.3764% (0.90   0.02   0.02) =   0.002%
          QG2   THR   46 - HE22  GLN   30  11.32 +/- 1.66   0.099% *  0.2368% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE22  GLN   30  14.38 +/- 1.17   0.013% *  0.8689% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 45.6:
      O   HA    LEU   31 - HN    GLN   32   3.58 +/- 0.03  99.994% * 99.9819% (0.97  10.0   5.93  45.63) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.23 +/- 0.65   0.006% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.22, residual support = 44.4:
          QG    GLN   32 - HN    GLN   32   3.24 +/- 0.76  99.932% * 98.8548% (0.99   4.22  44.35) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  14.85 +/- 1.03   0.022% *  0.3788% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  13.40 +/- 0.78   0.035% *  0.1053% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  17.22 +/- 0.49   0.008% *  0.1315% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  20.78 +/- 0.68   0.003% *  0.3250% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  26.30 +/- 2.14   0.001% *  0.1315% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  28.68 +/- 1.23   0.000% *  0.0730% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.22, residual support = 44.4:
      O   QB    GLN   32 - HN    GLN   32   2.21 +/- 0.16  99.990% * 99.6924% (0.90  10.0   4.22  44.35) = 100.000%  kept
          HG3   GLU- 100 - HN    GLN   32  12.64 +/- 1.14   0.004% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLN   32  11.97 +/- 0.33   0.004% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.23 +/- 1.21   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  16.75 +/- 1.12   0.001% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.7, support = 2.99, residual support = 5.19:
          HB3   GLN   30 - HN    GLN   32   5.08 +/- 0.22  35.994% * 73.2305% (0.99   2.43   1.52) =  63.335%  kept
          QB    LYS+  33 - HN    GLN   32   4.60 +/- 0.32  63.772% * 23.9268% (0.20   3.97  11.53) =  36.663%  kept
          HB3   LYS+  38 - HN    GLN   32  12.53 +/- 0.10   0.158% *  0.5458% (0.90   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    GLN   32  16.32 +/- 0.89   0.033% *  0.2076% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  18.37 +/- 0.69   0.016% *  0.1878% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  22.72 +/- 0.91   0.004% *  0.6032% (0.99   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  20.71 +/- 2.63   0.014% *  0.1355% (0.22   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  25.55 +/- 1.41   0.002% *  0.4651% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  27.53 +/- 0.81   0.001% *  0.5458% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  23.62 +/- 1.17   0.004% *  0.1518% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.6:
          HB2   LEU   31 - HN    GLN   32   2.80 +/- 0.18  99.917% * 97.3719% (0.98   5.93  45.63) = 100.000%  kept
          HG    LEU   98 - HN    GLN   32  11.43 +/- 1.20   0.028% *  0.2168% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLN   32  11.06 +/- 0.26   0.029% *  0.2033% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  14.41 +/- 0.66   0.006% *  0.3345% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  13.76 +/- 0.73   0.008% *  0.2434% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  15.81 +/- 0.68   0.003% *  0.3006% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  15.00 +/- 0.63   0.004% *  0.1764% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  19.58 +/- 1.03   0.001% *  0.3235% (0.97   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  16.90 +/- 0.74   0.002% *  0.0932% (0.28   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  23.40 +/- 2.74   0.000% *  0.2562% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  21.82 +/- 1.07   0.000% *  0.1632% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  28.60 +/- 2.01   0.000% *  0.3171% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.6:
          HB3   LEU   31 - HN    GLN   32   3.90 +/- 0.18  99.577% * 98.9133% (0.98   5.93  45.63) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32  10.37 +/- 0.55   0.311% *  0.1928% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.47 +/- 0.31   0.098% *  0.1792% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  23.11 +/- 2.52   0.003% *  0.3286% (0.97   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  18.47 +/- 0.74   0.009% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  30.39 +/- 2.00   0.001% *  0.2339% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.93 +/- 3.11   0.002% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.33, residual support = 11.5:
          QG    GLN   32 - HN    LYS+  33   4.25 +/- 0.20  99.938% * 98.6370% (0.84   4.33  11.53) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.07 +/- 0.99   0.037% *  0.2867% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  18.30 +/- 0.45   0.016% *  0.2867% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.03 +/- 0.57   0.007% *  0.5030% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  26.13 +/- 2.28   0.002% *  0.2867% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 11.5:
          QB    GLN   32 - HN    LYS+  33   2.90 +/- 0.06  99.942% * 98.5162% (1.00   4.34  11.53) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  12.00 +/- 1.15   0.025% *  0.3639% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  14.05 +/- 0.36   0.008% *  0.4504% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  12.33 +/- 1.28   0.022% *  0.0701% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  17.19 +/- 1.37   0.003% *  0.4195% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  26.87 +/- 0.97   0.000% *  0.0899% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  27.89 +/- 1.25   0.000% *  0.0899% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 150.5:
      O   QB    LYS+  33 - HN    LYS+  33   2.21 +/- 0.29  99.502% * 99.1015% (0.97  10.0   5.76 150.46) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.61 +/- 0.17   0.487% *  0.0385% (0.38   1.0   0.02   0.16) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  11.09 +/- 0.21   0.009% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.01 +/- 0.74   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.37 +/- 0.75   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  17.92 +/- 1.07   0.001% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.48 +/- 0.98   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  20.11 +/- 0.67   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  25.33 +/- 1.17   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.80 +/- 2.57   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.57 +/- 1.15   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  23.72 +/- 0.80   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  25.87 +/- 2.34   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  26.83 +/- 0.80   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  28.77 +/- 0.91   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.32, residual support = 150.5:
          HG2   LYS+  33 - HN    LYS+  33   3.69 +/- 0.19  99.991% * 98.5784% (0.61   4.32 150.46) = 100.000%  kept
          HG2   LYS+ 106 - HN    LYS+  33  19.61 +/- 0.93   0.005% *  0.7266% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LYS+  33  19.77 +/- 0.68   0.005% *  0.6950% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.368, support = 5.3, residual support = 142.2:
          HG3   LYS+  33 - HN    LYS+  33   3.56 +/- 1.01  79.651% * 75.6249% (0.38   5.49 150.46) =  94.469%  kept
          HB2   LEU   31 - HN    LYS+  33   4.95 +/- 0.12  19.512% * 18.0570% (0.25   1.97   0.67) =   5.526%  kept
          HB3   LEU   73 - HN    LYS+  33   9.38 +/- 0.66   0.470% *  0.3861% (0.53   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    LYS+  33  12.16 +/- 1.19   0.114% *  0.6366% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  10.91 +/- 0.27   0.166% *  0.3290% (0.45   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LYS+  33  16.50 +/- 0.61   0.014% *  0.6942% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  15.94 +/- 0.50   0.018% *  0.4451% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  16.90 +/- 1.95   0.016% *  0.4155% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  16.19 +/- 0.66   0.017% *  0.2754% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.34 +/- 0.58   0.005% *  0.5608% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  18.83 +/- 1.14   0.007% *  0.3572% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  22.30 +/- 3.01   0.003% *  0.5608% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  22.30 +/- 0.89   0.002% *  0.7082% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  21.77 +/- 1.08   0.003% *  0.3290% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  30.42 +/- 2.28   0.000% *  0.4747% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  29.16 +/- 1.95   0.001% *  0.1452% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.563, residual support = 0.669:
          QD2   LEU   31 - HN    LYS+  33   4.83 +/- 0.07  99.426% * 90.3852% (0.65   0.56   0.67) =  99.969%  kept
          QG2   VAL   83 - HN    LYS+  33  12.03 +/- 0.70   0.449% *  4.9195% (0.99   0.02   0.02) =   0.025%
          QD1   ILE   89 - HN    LYS+  33  14.83 +/- 0.61   0.125% *  4.6952% (0.95   0.02   0.02) =   0.007%
    Distance limit 4.55 A violated in 0 structures by 0.28 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.675, support = 1.84, residual support = 3.77:
          HA    GLN   32 - HN    ASN   35   3.49 +/- 0.09  61.400% * 35.6253% (0.38   2.24   6.57) =  50.504%  kept
          HA    LYS+  33 - HN    ASN   35   3.82 +/- 0.08  36.101% * 59.3609% (0.98   1.43   0.92) =  49.479%  kept
          HA    GLU-  29 - HN    ASN   35   7.84 +/- 0.22   0.482% *  0.8454% (1.00   0.02   0.02) =   0.009%
          HB2   SER   37 - HN    ASN   35   6.39 +/- 0.53   1.896% *  0.1307% (0.15   0.02   0.02) =   0.006%
          HA    VAL   70 - HN    ASN   35  10.09 +/- 0.23   0.106% *  0.6475% (0.76   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    ASN   35  14.60 +/- 0.87   0.012% *  0.8398% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  22.50 +/- 1.09   0.001% *  0.8177% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  22.40 +/- 0.65   0.001% *  0.3483% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  25.92 +/- 1.35   0.000% *  0.6475% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  26.91 +/- 1.15   0.000% *  0.5481% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  28.74 +/- 0.55   0.000% *  0.1886% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1115 (4.10, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 52.1:
          HA    GLU-  36 - HN    ASN   35   4.91 +/- 0.02  97.062% * 98.5307% (0.97   3.97  52.14) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.82 +/- 0.20   2.908% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    ASN   35  22.83 +/- 0.58   0.010% *  0.5129% (1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   35  24.16 +/- 4.45   0.010% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  28.97 +/- 1.81   0.003% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  23.97 +/- 1.55   0.008% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 2 structures by 0.88 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.89, residual support = 55.5:
      O   HB2   ASN   35 - HN    ASN   35   2.73 +/- 0.62  98.837% * 98.5351% (0.31  10.0   5.89  55.55) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   35   6.32 +/- 0.46   1.069% *  0.3185% (1.00   1.0   0.02   0.92) =   0.003%
          HB2   ASN   28 - HN    ASN   35  10.16 +/- 0.22   0.067% *  0.3081% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  12.29 +/- 0.94   0.022% *  0.0559% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  16.98 +/- 0.75   0.003% *  0.2065% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  21.59 +/- 1.23   0.001% *  0.2769% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.30 +/- 0.58   0.001% *  0.0796% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  25.28 +/- 0.55   0.000% *  0.2193% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 18.7:
          QB    ALA   34 - HN    ASN   35   2.96 +/- 0.06  97.693% * 97.9950% (0.92   3.31  18.75) =  99.994%  kept
          QG2   THR   39 - HN    ASN   35   6.57 +/- 1.00   1.772% *  0.1980% (0.31   0.02   0.02) =   0.004%
          HG3   LYS+  38 - HN    ASN   35   7.12 +/- 0.33   0.527% *  0.3631% (0.57   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  15.48 +/- 0.79   0.005% *  0.6287% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  21.05 +/- 2.02   0.001% *  0.4902% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.47 +/- 0.57   0.002% *  0.1269% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  22.12 +/- 0.56   0.001% *  0.1980% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.7, residual support = 94.2:
      O   HB2   ASN   28 - HD21  ASN   28   4.02 +/- 0.21  97.112% * 99.6076% (0.97  10.0   3.70  94.16) =  99.997%  kept
          HB2   ASP-  86 - HD21  ASN   28   7.66 +/- 0.73   2.610% *  0.0953% (0.92   1.0   0.02   0.02) =   0.003%
          QE    LYS+  33 - HD21  ASN   28  12.76 +/- 1.60   0.132% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  12.75 +/- 0.99   0.108% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  15.32 +/- 0.82   0.036% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  23.27 +/- 2.09   0.003% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.45 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.42, residual support = 94.2:
      O   HB3   ASN   28 - HD21  ASN   28   3.81 +/- 0.23  98.946% * 99.7665% (0.90  10.0   3.42  94.16) =  99.999%  kept
          HG2   GLN   30 - HD21  ASN   28   8.15 +/- 0.38   1.049% *  0.1110% (1.00   1.0   0.02   8.24) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  22.70 +/- 2.29   0.003% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  23.38 +/- 2.79   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.96, residual support = 11.9:
          QG2   VAL   24 - HD21  ASN   28   2.20 +/- 0.40  99.997% * 97.0631% (0.76   1.96  11.89) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  15.08 +/- 1.17   0.002% *  0.3232% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  20.00 +/- 1.41   0.000% *  1.1626% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  18.30 +/- 0.82   0.001% *  0.2000% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  28.56 +/- 1.72   0.000% *  1.2511% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 46.8:
      O   HA    TRP   27 - HN    ASN   28   3.60 +/- 0.02  99.993% * 99.7755% (1.00  10.0   5.03  46.83) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  20.23 +/- 0.88   0.003% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.37 +/- 0.51   0.002% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.36 +/- 0.63   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.51, residual support = 11.9:
          HA    VAL   24 - HN    ASN   28   4.07 +/- 0.20  99.955% * 99.4416% (0.92   5.51  11.89) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.64 +/- 0.24   0.032% *  0.1607% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  20.65 +/- 1.25   0.006% *  0.2371% (0.61   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  20.50 +/- 1.30   0.007% *  0.1607% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.3, residual support = 46.8:
          HB2   TRP   27 - HN    ASN   28   3.07 +/- 0.21  99.980% * 99.2345% (0.80   5.30  46.83) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.05 +/- 0.63   0.019% *  0.3908% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  21.86 +/- 0.82   0.001% *  0.3747% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.24, residual support = 94.2:
      O   HB2   ASN   28 - HN    ASN   28   2.71 +/- 0.10  99.893% * 99.6076% (0.97  10.0   6.24  94.16) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28  10.68 +/- 1.59   0.050% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  10.29 +/- 0.53   0.037% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  11.83 +/- 0.94   0.017% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  15.80 +/- 0.64   0.003% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  22.18 +/- 1.99   0.000% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.04, residual support = 94.1:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.02  93.644% * 99.7665% (0.90  10.0   6.04  94.16) =  99.992%  kept
          HG2   GLN   30 - HN    ASN   28   5.59 +/- 0.30   6.353% *  0.1110% (1.00   1.0   0.02   8.24) =   0.008%
          QE    LYS+ 121 - HN    ASN   28  23.22 +/- 2.19   0.001% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  23.12 +/- 2.70   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.538, support = 1.96, residual support = 18.1:
          HG3   GLU-  29 - HN    ASN   28   5.63 +/- 0.41  44.068% * 54.6569% (0.20   3.30  32.53) =  51.360%  kept
          HB2   GLU-  25 - HN    ASN   28   5.39 +/- 0.16  55.286% * 41.2500% (0.90   0.55   2.88) =  48.629%  kept
          HB2   MET   96 - HN    ASN   28  12.16 +/- 0.48   0.424% *  0.5173% (0.31   0.02   0.02) =   0.005%
          QG    GLN   17 - HN    ASN   28  14.99 +/- 1.13   0.128% *  1.3421% (0.80   0.02   0.02) =   0.004%
          HB    VAL   70 - HN    ASN   28  16.94 +/- 0.72   0.058% *  1.2171% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  18.12 +/- 0.20   0.037% *  1.0166% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.466, support = 2.71, residual support = 11.9:
          QG2   VAL   24 - HN    ASN   28   3.88 +/- 0.23  85.727% * 55.6072% (0.45   2.85  11.89) =  88.629%  kept
          QG1   VAL   24 - HN    ASN   28   5.28 +/- 0.40  14.257% * 42.8970% (0.61   1.63  11.89) =  11.371%  kept
          QG1   VAL  107 - HN    ASN   28  18.03 +/- 0.75   0.009% *  0.8035% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  19.53 +/- 1.39   0.006% *  0.2687% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  29.24 +/- 1.94   0.001% *  0.4237% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.541, support = 2.58, residual support = 1.67:
          QD2   LEU   80 - HN    ASN   28   5.45 +/- 0.58  47.003% * 56.7688% (0.45   3.20   2.26) =  71.979%  kept
          QG1   VAL   83 - HN    ASN   28   6.21 +/- 0.87  23.762% * 32.4142% (1.00   0.82   0.17) =  20.778%  kept
          QD1   LEU   73 - HN    ASN   28   6.09 +/- 0.73  28.606% *  9.3775% (0.15   1.54   0.13) =   7.236%  kept
          QG2   ILE   89 - HN    ASN   28  11.76 +/- 0.60   0.448% *  0.4482% (0.57   0.02   0.02) =   0.005%
          QD1   LEU  104 - HN    ASN   28  16.28 +/- 0.95   0.067% *  0.5438% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  15.26 +/- 0.79   0.099% *  0.1221% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  21.26 +/- 1.60   0.015% *  0.3254% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 25.8:
          HA    VAL   24 - HN    TRP   27   3.20 +/- 0.09  99.982% * 99.0540% (0.99   3.13  25.79) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  17.33 +/- 0.30   0.004% *  0.4636% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  15.90 +/- 0.79   0.007% *  0.0782% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  20.66 +/- 1.34   0.002% *  0.1970% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  19.24 +/- 1.50   0.002% *  0.1118% (0.18   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  19.84 +/- 1.22   0.002% *  0.0138% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  26.31 +/- 0.48   0.000% *  0.0573% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  24.74 +/- 1.71   0.001% *  0.0243% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.22, residual support = 98.2:
      O   HB2   TRP   27 - HN    TRP   27   2.05 +/- 0.05  99.954% * 99.8160% (0.99  10.0   5.22  98.18) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   8.47 +/- 0.32   0.021% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.69 +/- 0.63   0.003% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   8.70 +/- 0.83   0.022% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  20.87 +/- 0.75   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.22 +/- 0.72   0.000% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.5, residual support = 98.2:
      O   HB3   TRP   27 - HN    TRP   27   3.03 +/- 0.11  99.870% * 99.6559% (0.99  10.0   5.50  98.18) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   91  11.23 +/- 1.97   0.095% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    TRP   27  17.76 +/- 0.60   0.003% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  18.06 +/- 0.65   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.95 +/- 1.01   0.002% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.85 +/- 0.99   0.003% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  15.27 +/- 0.70   0.006% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  15.54 +/- 0.69   0.006% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  19.00 +/- 0.65   0.002% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.52 +/- 1.18   0.006% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  19.15 +/- 1.50   0.002% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  20.85 +/- 0.66   0.001% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  18.51 +/- 1.46   0.002% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  26.98 +/- 1.07   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.748, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   3.53 +/- 0.57  99.812% * 96.3460% (0.53   0.75   1.50) =  99.998%  kept
          HG2   MET   96 - HN    TRP   27  14.67 +/- 0.73   0.033% *  2.9689% (0.61   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ALA   91  11.73 +/- 0.80   0.145% *  0.3668% (0.07   0.02   0.02) =   0.001%
          HB3   CYS   21 - HN    ALA   91  17.39 +/- 1.13   0.010% *  0.3182% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 1 structures by 0.06 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.41, residual support = 22.0:
          QG2   THR   26 - HN    TRP   27   2.87 +/- 0.63  99.689% * 97.5675% (0.98   4.41  22.05) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27   9.60 +/- 0.50   0.190% *  0.3615% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    TRP   27  12.56 +/- 0.51   0.036% *  0.0791% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  21.69 +/- 2.19   0.002% *  0.4505% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  17.19 +/- 0.77   0.006% *  0.0893% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  22.14 +/- 1.33   0.001% *  0.3450% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  12.20 +/- 1.31   0.043% *  0.0110% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  16.24 +/- 0.99   0.007% *  0.0447% (0.10   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  25.28 +/- 1.82   0.001% *  0.4505% (1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  19.97 +/- 0.88   0.002% *  0.1255% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  16.81 +/- 1.18   0.003% *  0.0547% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  18.69 +/- 1.25   0.002% *  0.0557% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  15.31 +/- 1.32   0.009% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  24.69 +/- 2.06   0.001% *  0.1255% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  23.99 +/- 1.54   0.001% *  0.0557% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  22.50 +/- 1.43   0.001% *  0.0426% (0.09   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  19.41 +/- 0.65   0.002% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.37 +/- 1.40   0.000% *  0.0893% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  19.36 +/- 0.49   0.002% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  21.66 +/- 0.56   0.001% *  0.0110% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1136 (0.58, 7.73, 123.24 ppm):
    16 chemical-shift based assignments, quality = 0.787, support = 2.66, residual support = 11.9:
          QD2   LEU   80 - HN    TRP   27   4.20 +/- 0.69  77.464% * 55.9592% (0.76   2.82  11.97) =  88.456%  kept
          QD1   LEU   73 - HN    TRP   27   6.32 +/- 0.88  13.944% * 38.9968% (1.00   1.50  11.80) =  11.096%  kept
          QG1   VAL   83 - HN    TRP   27   6.33 +/- 0.79   6.970% *  3.1300% (0.15   0.78   1.97) =   0.445%
          QG2   VAL   41 - HN    TRP   27   8.88 +/- 0.71   0.879% *  0.0703% (0.14   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    TRP   27  14.80 +/- 0.85   0.042% *  0.5187% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  15.33 +/- 1.32   0.036% *  0.3153% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.56 +/- 0.61   0.174% *  0.0491% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  12.96 +/- 1.00   0.090% *  0.0641% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.20 +/- 0.98   0.017% *  0.2735% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  13.89 +/- 1.34   0.067% *  0.0514% (0.10   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  14.14 +/- 0.55   0.051% *  0.0641% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  20.69 +/- 1.72   0.006% *  0.4162% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  11.52 +/- 0.52   0.166% *  0.0099% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  14.89 +/- 1.14   0.039% *  0.0390% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  17.10 +/- 0.66   0.017% *  0.0338% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  14.88 +/- 0.60   0.038% *  0.0087% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.762, residual support = 2.96:
          QG2   VAL   75 - HN    TRP   27   5.67 +/- 0.66  94.098% * 96.6786% (0.95   0.76   2.96) =  99.953%  kept
          QG2   VAL   42 - HN    TRP   27  12.36 +/- 0.79   1.008% *  2.6770% (1.00   0.02   0.02) =   0.030%
          QG2   VAL   75 - HN    ALA   91  10.02 +/- 0.65   4.450% *  0.3136% (0.12   0.02   0.02) =   0.015%
          QG2   VAL   42 - HN    ALA   91  14.25 +/- 0.62   0.444% *  0.3308% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 14 structures by 1.25 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.803, support = 1.35, residual support = 9.05:
          QD2   LEU   80 - HE1   TRP   27   5.30 +/- 1.08  23.338% * 58.0790% (0.99   1.73  11.97) =  54.726%  kept
          QG1   VAL   83 - HE1   TRP   27   4.29 +/- 1.61  62.214% * 11.5096% (0.41   0.83   1.97) =  28.911%  kept
          QD1   LEU   73 - HE1   TRP   27   6.33 +/- 0.96  14.279% * 28.3777% (0.87   0.97  11.80) =  16.360%  kept
          QD1   LEU  104 - HE1   TRP   27  14.27 +/- 1.33   0.061% *  0.5860% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE1   TRP   27  13.83 +/- 0.85   0.055% *  0.5860% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HE1   TRP   27  14.45 +/- 1.31   0.043% *  0.1878% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE1   TRP   27  19.17 +/- 1.38   0.011% *  0.6740% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.776, support = 1.13, residual support = 9.29:
          QG2   VAL   43 - HE1   TRP   27   4.83 +/- 0.84  57.814% * 61.3670% (0.99   0.86   7.96) =  68.523%  kept
          QD2   LEU   31 - HE1   TRP   27   5.09 +/- 0.89  42.186% * 38.6330% (0.31   1.73  12.18) =  31.477%  kept
    Distance limit 3.82 A violated in 1 structures by 0.34 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.49, residual support = 29.1:
          HB2   GLU-  25 - HN    THR   26   2.59 +/- 0.09  98.683% * 98.9389% (0.90   5.49  29.10) =  99.999%  kept
          HG3   GLU-  29 - HN    THR   26   5.48 +/- 0.51   1.310% *  0.0795% (0.20   0.02   1.48) =   0.001%
          QG    GLN   17 - HN    THR   26  14.77 +/- 1.20   0.003% *  0.3219% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  15.26 +/- 0.45   0.002% *  0.1241% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.14 +/- 0.84   0.001% *  0.2919% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  21.12 +/- 0.27   0.000% *  0.2438% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.25, residual support = 29.1:
          HB3   GLU-  25 - HN    THR   26   3.23 +/- 0.15  98.858% * 95.4963% (0.57   5.25  29.10) =  99.995%  kept
          HG3   GLN   30 - HN    THR   26   7.53 +/- 0.53   0.715% *  0.5362% (0.84   0.02   4.75) =   0.004%
          HB2   GLN   30 - HN    THR   26   8.60 +/- 0.40   0.298% *  0.3378% (0.53   0.02   4.75) =   0.001%
          HB    ILE   19 - HN    THR   26  10.17 +/- 0.55   0.112% *  0.1271% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.27 +/- 1.09   0.007% *  0.4906% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.78 +/- 0.57   0.005% *  0.4906% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  21.47 +/- 0.88   0.001% *  0.3894% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  24.52 +/- 1.45   0.001% *  0.6406% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  22.52 +/- 1.30   0.001% *  0.1982% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  28.89 +/- 1.27   0.000% *  0.5362% (0.84   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  27.26 +/- 1.16   0.000% *  0.3378% (0.53   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.66 +/- 1.02   0.001% *  0.1601% (0.25   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  26.33 +/- 2.30   0.000% *  0.1601% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.12 +/- 1.06   0.001% *  0.0991% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 35.1:
          QG2   THR   26 - HN    THR   26   3.14 +/- 0.16  99.938% * 98.0840% (0.95   4.46  35.06) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  11.18 +/- 0.63   0.058% *  0.4611% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  19.38 +/- 0.77   0.002% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  23.35 +/- 2.31   0.001% *  0.4172% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  23.95 +/- 1.33   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  27.78 +/- 1.71   0.000% *  0.3886% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  25.65 +/- 0.85   0.000% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  26.29 +/- 1.66   0.000% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (1.32, 8.12, 116.43 ppm):
    10 chemical-shift based assignments, quality = 0.599, support = 0.0199, residual support = 0.0199:
          HB3   LEU   80 - HN    THR   26   9.33 +/- 0.77  50.228% *  8.4695% (0.53   0.02   0.02) =  45.462%  kept
          HB2   LEU   31 - HN    THR   26   9.89 +/- 0.25  35.513% * 11.0578% (0.69   0.02   0.02) =  41.967%  kept
          QG2   THR   77 - HN    THR   26  12.55 +/- 0.64   8.438% *  7.8357% (0.49   0.02   0.02) =   7.066%  kept
          QB    ALA   88 - HN    THR   26  16.72 +/- 0.51   1.469% * 13.9639% (0.87   0.02   0.02) =   2.192%  kept
          HB3   ASP-  44 - HN    THR   26  14.97 +/- 0.88   3.076% *  4.9686% (0.31   0.02   0.02) =   1.633%  kept
          HG2   LYS+  38 - HN    THR   26  20.31 +/- 0.27   0.463% * 16.0623% (1.00   0.02   0.02) =   0.795%  kept
          HG2   LYS+  99 - HN    THR   26  21.68 +/- 0.60   0.319% * 15.5357% (0.97   0.02   0.02) =   0.529%  kept
          HB2   LEU   63 - HN    THR   26  21.27 +/- 1.20   0.359% *  6.6181% (0.41   0.02   0.02) =   0.254%
          HG2   LYS+ 111 - HN    THR   26  28.93 +/- 1.36   0.058% * 12.3026% (0.76   0.02   0.02) =   0.076%
          QB    ALA  124 - HN    THR   26  27.44 +/- 1.36   0.079% *  3.1858% (0.20   0.02   0.02) =   0.027%
    Distance limit 4.48 A violated in 20 structures by 3.78 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 34.6:
      O   HA    VAL   24 - HN    GLU-  25   3.60 +/- 0.02  99.994% * 99.8455% (0.92  10.0   5.65  34.59) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  20.28 +/- 0.27   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  22.79 +/- 1.59   0.002% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  24.60 +/- 1.32   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 6.05, residual support = 127.2:
      O   HB2   GLU-  25 - HN    GLU-  25   2.94 +/- 0.36  99.004% * 99.5608% (0.61  10.0   6.05 127.23) =  99.999%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.14 +/- 0.76   0.630% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  25   8.14 +/- 0.72   0.359% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.13 +/- 1.18   0.003% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  18.80 +/- 1.25   0.002% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.70 +/- 0.26   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  20.95 +/- 0.84   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.87, residual support = 127.2:
      O   HB3   GLU-  25 - HN    GLU-  25   2.48 +/- 0.69  99.845% * 98.7761% (0.57  10.0   5.87 127.23) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25   9.88 +/- 0.48   0.085% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25  10.57 +/- 0.34   0.050% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.53 +/- 0.59   0.015% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.59 +/- 1.07   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.31 +/- 0.53   0.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  22.29 +/- 0.95   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  26.68 +/- 1.34   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  22.14 +/- 1.39   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  28.97 +/- 1.32   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.79 +/- 1.05   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  28.31 +/- 1.26   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  26.88 +/- 2.05   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  26.13 +/- 1.10   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 6.32:
          QG2   THR   23 - HN    GLU-  25   4.18 +/- 0.22  99.635% * 98.6234% (0.73   3.29   6.32) =  99.998%  kept
          QG2   THR   77 - HN    GLU-  25  12.09 +/- 0.74   0.190% *  0.6003% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.85 +/- 0.25   0.124% *  0.3103% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.53 +/- 0.62   0.041% *  0.2820% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  19.88 +/- 2.01   0.011% *  0.1840% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.55, residual support = 34.6:
          QG2   VAL   24 - HN    GLU-  25   3.44 +/- 0.28  99.996% * 99.2361% (0.97   4.55  34.59) = 100.000%  kept
          HG    LEU   63 - HN    GLU-  25  22.58 +/- 1.47   0.001% *  0.3918% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLU-  25  20.34 +/- 0.89   0.003% *  0.1695% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  30.92 +/- 1.94   0.000% *  0.2025% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 127.2:
          HG2   GLU-  25 - HN    GLU-  25   3.54 +/- 0.54  99.962% * 99.4322% (0.97   5.28 127.23) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  14.50 +/- 0.89   0.031% *  0.1204% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  19.20 +/- 0.95   0.005% *  0.1898% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  30.64 +/- 1.64   0.000% *  0.1603% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  31.86 +/- 2.20   0.000% *  0.0972% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 65.1:
      O   HA    VAL   24 - HN    VAL   24   2.80 +/- 0.03  99.999% * 99.8455% (0.92  10.0   4.34  65.10) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  21.66 +/- 1.71   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  21.45 +/- 0.35   0.000% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  24.52 +/- 1.43   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 65.1:
      O   HB    VAL   24 - HN    VAL   24   2.53 +/- 0.20  99.169% * 99.7135% (0.95  10.0   4.68  65.10) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   6.18 +/- 1.06   0.821% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  11.96 +/- 0.52   0.010% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  23.01 +/- 1.02   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  26.61 +/- 1.16   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.44, residual support = 25.5:
          QG2   THR   23 - HN    VAL   24   3.66 +/- 0.33  99.630% * 99.1634% (0.73   5.44  25.50) =  99.999%  kept
          QG2   THR   77 - HN    VAL   24  10.10 +/- 0.74   0.284% *  0.3648% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   24  13.59 +/- 0.30   0.044% *  0.1886% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  14.36 +/- 0.67   0.034% *  0.1714% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  18.34 +/- 2.03   0.009% *  0.1119% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.887, support = 4.1, residual support = 65.1:
          QG1   VAL   24 - HN    VAL   24   2.02 +/- 0.31  95.205% * 77.1697% (0.90   4.09  65.10) =  98.592%  kept
          QG2   VAL   24 - HN    VAL   24   3.66 +/- 0.11   4.793% * 21.8987% (0.20   5.26  65.10) =   1.408%  kept
          HB3   LEU   31 - HN    VAL   24  13.14 +/- 0.30   0.002% *  0.0937% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  19.19 +/- 0.96   0.000% *  0.4173% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  29.54 +/- 1.99   0.000% *  0.3372% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  24.99 +/- 1.65   0.000% *  0.0833% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.761, support = 3.08, residual support = 10.3:
          QD2   LEU   80 - HN    VAL   24   2.88 +/- 0.42  91.449% * 91.1632% (0.76   3.10  10.33) =  99.430%  kept
          QG1   VAL   83 - HN    VAL   24   4.58 +/- 0.64   8.359% *  5.7061% (0.15   0.96   0.74) =   0.569%  kept
          QD1   LEU   73 - HN    VAL   24   9.49 +/- 1.00   0.161% *  0.7686% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    VAL   24  11.86 +/- 0.72   0.023% *  0.1042% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    VAL   24  16.83 +/- 0.92   0.003% *  0.7686% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  17.75 +/- 1.32   0.002% *  0.4672% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  19.84 +/- 1.03   0.001% *  0.4053% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  22.04 +/- 1.76   0.001% *  0.6168% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.1, residual support = 21.5:
          HB2   HIS   22 - HN    THR   23   4.15 +/- 0.52  99.984% * 99.6173% (0.99   5.10  21.49) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  20.79 +/- 1.18   0.008% *  0.3294% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  21.49 +/- 2.03   0.008% *  0.0534% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.7, residual support = 21.5:
          HB3   HIS   22 - HN    THR   23   4.16 +/- 0.23  99.968% * 99.7210% (0.76   5.70  21.49) = 100.000%  kept
          HD3   ARG+  54 - HN    THR   23  22.83 +/- 3.33   0.013% *  0.1883% (0.41   0.02   0.02) =   0.000%
          HB2   PHE   95 - HN    THR   23  17.57 +/- 0.98   0.020% *  0.0907% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 1.94, residual support = 4.22:
          HB3   CYS   21 - HN    THR   23   3.62 +/- 0.55 100.000% *100.0000% (1.00   1.94   4.22) = 100.000%  kept
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 2.09, residual support = 14.2:
          QG2   THR   26 - HN    THR   23   3.01 +/- 0.75  98.594% * 94.9063% (0.73   2.09  14.20) =  99.982%  kept
          HB2   LYS+  74 - HN    THR   23   8.03 +/- 0.87   1.391% *  1.1806% (0.95   0.02   0.02) =   0.018%
          HG2   LYS+  65 - HN    THR   23  20.97 +/- 2.49   0.005% *  0.8074% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   23  19.30 +/- 0.99   0.005% *  0.9063% (0.73   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  23.51 +/- 1.79   0.001% *  0.6075% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  22.40 +/- 1.51   0.002% *  0.2779% (0.22   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  23.98 +/- 1.05   0.001% *  0.6075% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  26.21 +/- 1.63   0.001% *  0.7066% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.76, residual support = 19.2:
          QG2   THR   23 - HN    THR   23   3.21 +/- 0.49  99.787% * 97.7051% (0.41   4.76  19.22) =  99.998%  kept
          QG2   THR   77 - HN    THR   23   9.90 +/- 0.67   0.164% *  0.9640% (0.97   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    THR   23  15.86 +/- 0.61   0.009% *  0.6462% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    THR   23  12.56 +/- 0.35   0.037% *  0.1541% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  22.22 +/- 0.42   0.001% *  0.3083% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  22.33 +/- 0.66   0.001% *  0.2224% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.316, support = 2.16, residual support = 6.67:
          QD2   LEU   80 - HN    THR   23   3.83 +/- 0.71  56.067% * 42.9632% (0.20   2.77   6.67) =  52.584%  kept
          QD1   LEU   80 - HN    THR   23   4.13 +/- 1.01  41.927% * 51.7654% (0.45   1.48   6.67) =  47.379%  kept
          QD1   LEU   73 - HN    THR   23   8.09 +/- 0.89   1.816% *  0.8235% (0.53   0.02   0.02) =   0.033%
          QG2   VAL   41 - HN    THR   23  11.19 +/- 0.72   0.103% *  1.0125% (0.65   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    THR   23  12.69 +/- 0.72   0.050% *  0.7017% (0.45   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    THR   23  15.68 +/- 1.45   0.015% *  1.5617% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    THR   23  14.84 +/- 1.00   0.020% *  0.8235% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    THR   23  20.31 +/- 1.74   0.003% *  0.3485% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 1 structures by 0.10 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.5:
      O   HB3   HIS   22 - HN    HIS   22   2.95 +/- 0.50  99.994% * 99.9260% (0.98  10.0   3.46  34.46) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  21.74 +/- 3.64   0.006% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.263, support = 6.6, residual support = 168.7:
          HG3   ARG+  54 - HN    ARG+  54   3.35 +/- 0.53  83.780% * 95.0656% (0.26   6.61 168.92) =  99.861%  kept
          QB    ALA   57 - HN    ARG+  54   5.19 +/- 1.01  13.515% *  0.7907% (0.72   0.02   0.02) =   0.134%
          QB    ALA   57 - HN    ASP-  62   6.29 +/- 0.27   2.454% *  0.1479% (0.14   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HN    ARG+  54  12.97 +/- 1.51   0.052% *  0.4639% (0.42   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  22.18 +/- 3.07   0.012% *  1.0141% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ARG+  54  14.98 +/- 1.63   0.014% *  0.8285% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  11.21 +/- 1.29   0.096% *  0.0868% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  12.74 +/- 1.56   0.044% *  0.1898% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.86 +/- 1.09   0.024% *  0.0538% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  17.88 +/- 1.40   0.005% *  0.1550% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  24.64 +/- 1.62   0.001% *  1.0141% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  18.65 +/- 1.66   0.004% *  0.1898% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.39, residual support = 28.7:
      O   HB2   CYS   21 - HN    CYS   21   2.79 +/- 0.46  99.897% * 99.8975% (0.90  10.0   3.39  28.65) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  10.73 +/- 0.47   0.042% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.09 +/- 1.34   0.053% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  14.93 +/- 0.61   0.006% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.12 +/- 1.36   0.001% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.35 +/- 1.14   0.001% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.33, residual support = 28.7:
      O   HB3   CYS   21 - HN    CYS   21   3.47 +/- 0.37  99.941% * 99.8170% (0.53  10.0   3.33  28.65) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  15.00 +/- 0.61   0.018% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.82 +/- 2.22   0.039% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  21.95 +/- 1.14   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.26, support = 0.0194, residual support = 0.0194:
          HG    LEU  123 - HN    ILE  119   6.72 +/- 0.54  36.577% *  3.5886% (0.32   0.02   0.02) =  55.657%  kept
          HB3   ASP- 105 - HN    ILE  119   7.34 +/- 3.18  40.280% *  1.1101% (0.10   0.02   0.02) =  18.959%  kept
          QB    LYS+  66 - HN    ILE  119   9.01 +/- 2.08  12.429% *  2.1815% (0.19   0.02   0.02) =  11.497%  kept
          HB3   PRO   52 - HN    ILE  119  15.77 +/- 2.39   2.560% *  3.5886% (0.32   0.02   0.02) =   3.895%  kept
          HB    VAL   41 - HN    CYS   21  13.31 +/- 0.81   0.630% *  9.1141% (0.80   0.02   0.02) =   2.434%  kept
          QB    LYS+  33 - HN    CYS   21  11.00 +/- 0.62   1.912% *  2.5341% (0.22   0.02   0.02) =   2.054%  kept
          HG2   PRO   93 - HN    ILE  119  11.27 +/- 1.52   2.546% *  1.2268% (0.11   0.02   0.02) =   1.324%  kept
          HG2   ARG+  54 - HN    CYS   21  18.28 +/- 2.92   0.391% *  3.8825% (0.34   0.02   0.02) =   0.643%  kept
          QB    LYS+  66 - HN    CYS   21  16.35 +/- 1.58   0.218% *  6.9036% (0.61   0.02   0.02) =   0.639%  kept
          HG12  ILE  103 - HN    CYS   21  17.80 +/- 0.91   0.108% * 10.5070% (0.92   0.02   0.02) =   0.479%
          HG3   PRO   68 - HN    ILE  119  14.33 +/- 2.79   0.622% *  1.4786% (0.13   0.02   0.02) =   0.390%
          HG12  ILE  103 - HN    ILE  119  15.71 +/- 1.88   0.245% *  3.3201% (0.29   0.02   0.02) =   0.346%
          HG2   PRO   93 - HN    CYS   21  16.07 +/- 1.15   0.195% *  3.8825% (0.34   0.02   0.02) =   0.321%
          HB3   PRO   52 - HN    CYS   21  19.48 +/- 1.03   0.063% * 11.3569% (1.00   0.02   0.02) =   0.305%
          HB    VAL   41 - HN    ILE  119  16.53 +/- 2.49   0.194% *  2.8799% (0.25   0.02   0.02) =   0.237%
          HB    ILE  103 - HN    ILE  119  15.70 +/- 2.11   0.245% *  1.3499% (0.12   0.02   0.02) =   0.140%
          HG3   PRO   68 - HN    CYS   21  19.53 +/- 1.30   0.065% *  4.6793% (0.41   0.02   0.02) =   0.130%
          HB3   ASP- 105 - HN    CYS   21  19.31 +/- 1.02   0.067% *  3.5131% (0.31   0.02   0.02) =   0.100%
          HB    ILE  103 - HN    CYS   21  20.17 +/- 0.79   0.049% *  4.2718% (0.38   0.02   0.02) =   0.089%
          HG    LEU  123 - HN    CYS   21  23.95 +/- 1.31   0.018% * 11.3569% (1.00   0.02   0.02) =   0.086%
          HG2   ARG+  54 - HN    ILE  119  17.32 +/- 1.73   0.157% *  1.2268% (0.11   0.02   0.02) =   0.082%
          HB3   GLN   90 - HN    CYS   21  18.98 +/- 1.64   0.082% *  1.9934% (0.18   0.02   0.02) =   0.069%
          QB    LYS+ 102 - HN    ILE  119  16.12 +/- 2.42   0.219% *  0.6299% (0.06   0.02   0.02) =   0.059%
          QB    LYS+ 102 - HN    CYS   21  20.00 +/- 0.54   0.050% *  1.9934% (0.18   0.02   0.02) =   0.042%
          QB    LYS+  33 - HN    ILE  119  21.29 +/- 1.51   0.036% *  0.8007% (0.07   0.02   0.02) =   0.012%
          HB3   GLN   90 - HN    ILE  119  20.70 +/- 1.02   0.042% *  0.6299% (0.06   0.02   0.02) =   0.011%
    Distance limit 3.55 A violated in 20 structures by 2.08 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.55, support = 5.48, residual support = 138.8:
          HG13  ILE  119 - HN    ILE  119   3.29 +/- 0.50  56.517% * 41.5514% (0.31   7.12 257.41) =  51.112%  kept
          QB    ALA   20 - HN    CYS   21   3.51 +/- 0.02  39.519% * 56.8332% (0.80   3.76  14.70) =  48.885%  kept
          QG2   VAL  107 - HN    ILE  119   6.01 +/- 1.14   2.840% *  0.0265% (0.07   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    ILE  119   6.88 +/- 0.50   0.785% *  0.0490% (0.13   0.02   2.63) =   0.001%
          QG1   VAL   24 - HN    CYS   21   9.01 +/- 0.42   0.143% *  0.1164% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119   9.58 +/- 1.56   0.164% *  0.0490% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.79 +/- 0.55   0.018% *  0.3639% (0.97   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.64 +/- 1.62   0.002% *  0.3696% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  14.91 +/- 0.85   0.007% *  0.0839% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.62 +/- 0.93   0.002% *  0.0954% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  21.36 +/- 2.20   0.001% *  0.1150% (0.30   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.84 +/- 2.29   0.000% *  0.1550% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.44 +/- 1.41   0.000% *  0.1550% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  22.39 +/- 1.15   0.001% *  0.0368% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.536, support = 1.37, residual support = 3.28:
          QD2   LEU   73 - HN    CYS   21   5.45 +/- 0.49  30.400% * 71.3607% (0.57   1.52   3.85) =  84.916%  kept
          QD1   ILE   19 - HN    CYS   21   6.27 +/- 0.62  14.651% * 16.0199% (0.22   0.87   0.10) =   9.187%  kept
          QG2   VAL   18 - HN    CYS   21   5.77 +/- 1.13  30.708% *  4.4241% (0.65   0.08   0.02) =   5.318%  kept
          QG2   THR   46 - HN    CYS   21   6.43 +/- 0.46  10.749% *  0.8729% (0.53   0.02   0.02) =   0.367%
          QG1   VAL   43 - HN    CYS   21   8.85 +/- 0.68   1.725% *  1.4392% (0.87   0.02   0.02) =   0.097%
          QD1   ILE   56 - HN    ILE  119   6.74 +/- 0.84  10.391% *  0.1618% (0.10   0.02   0.02) =   0.066%
          HG    LEU   31 - HN    CYS   21  10.82 +/- 0.86   0.482% *  1.2048% (0.73   0.02   0.02) =   0.023%
          QG1   VAL   41 - HN    CYS   21  11.88 +/- 0.65   0.259% *  1.6264% (0.98   0.02   0.02) =   0.016%
          QG1   VAL   43 - HN    ILE  119  12.90 +/- 1.56   0.179% *  0.4548% (0.27   0.02   0.02) =   0.003%
          QD1   ILE   56 - HN    CYS   21  14.61 +/- 1.41   0.087% *  0.5121% (0.31   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    ILE  119  14.00 +/- 1.35   0.118% *  0.3392% (0.20   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    ILE  119  15.13 +/- 2.18   0.072% *  0.5139% (0.31   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  14.81 +/- 1.35   0.079% *  0.2758% (0.17   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  15.18 +/- 1.33   0.064% *  0.2968% (0.18   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE  119  20.67 +/- 2.15   0.010% *  0.3807% (0.23   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  17.67 +/- 1.33   0.026% *  0.1167% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 1 structures by 0.22 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.235, support = 3.86, residual support = 6.84:
          QD2   LEU  115 - HN    ILE  119   4.15 +/- 0.41  59.727% *  9.6837% (0.07   4.37  10.32) =  53.601%  kept
          QD1   LEU   73 - HN    CYS   21   6.45 +/- 0.54   4.810% * 71.3269% (0.53   4.31   3.85) =  31.793%  kept
          QD1   LEU   63 - HN    ILE  119   6.04 +/- 1.42  11.988% *  5.8732% (0.17   1.12   0.60) =   6.525%  kept
          QD2   LEU   80 - HN    CYS   21   6.17 +/- 1.01   6.820% *  8.0179% (0.20   1.29   0.47) =   5.067%  kept
          QD2   LEU   63 - HN    ILE  119   6.58 +/- 2.01  12.098% *  2.5762% (0.32   0.26   0.60) =   2.888%  kept
          QD1   LEU   80 - HN    CYS   21   6.79 +/- 0.85   3.650% *  0.2822% (0.45   0.02   0.47) =   0.095%
          QG2   VAL   41 - HN    CYS   21   9.93 +/- 0.74   0.321% *  0.4072% (0.65   0.02   0.02) =   0.012%
          QD2   LEU   63 - HN    CYS   21  12.15 +/- 1.42   0.141% *  0.6281% (1.00   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    CYS   21  11.37 +/- 1.02   0.180% *  0.3312% (0.53   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    CYS   21  11.68 +/- 0.66   0.116% *  0.2822% (0.45   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    ILE  119  13.66 +/- 1.85   0.056% *  0.0892% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE  119  14.68 +/- 1.84   0.036% *  0.1287% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  14.86 +/- 1.63   0.032% *  0.1047% (0.17   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  17.03 +/- 1.92   0.016% *  0.1401% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  19.99 +/- 1.07   0.005% *  0.0892% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  19.23 +/- 1.02   0.006% *  0.0394% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.287, support = 5.54, residual support = 36.2:
          HN    THR  118 - HN    ILE  119   2.67 +/- 0.16  95.964% * 49.4775% (0.28   5.64  37.05) =  96.299%  kept
          HN    GLN  116 - HN    ILE  119   4.64 +/- 0.21   3.746% * 48.6794% (0.53   2.93  14.77) =   3.699%  kept
          HN    GLU- 114 - HN    ILE  119   7.63 +/- 0.33   0.203% *  0.5967% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.04 +/- 0.40   0.071% *  0.0854% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  15.83 +/- 2.20   0.003% *  0.5967% (0.95   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.79 +/- 0.61   0.009% *  0.1885% (0.30   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  14.78 +/- 0.85   0.004% *  0.0270% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  23.40 +/- 1.35   0.000% *  0.1885% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  22.29 +/- 1.60   0.000% *  0.1049% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.59 +/- 1.03   0.000% *  0.0554% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1173 (7.23, 7.92, 121.27 ppm):
    8 chemical-shift based assignments, quality = 0.454, support = 2.67, residual support = 17.7:
          QE    PHE   59 - HN    ILE  119   3.57 +/- 0.54  86.202% * 24.6254% (0.22   3.00  19.23) =  70.011%  kept
          HN    HIS  122 - HN    ILE  119   5.11 +/- 0.11  13.018% * 69.6139% (1.00   1.89  14.17) =  29.889%  kept
          HN    PHE   59 - HN    ILE  119   8.42 +/- 0.72   0.691% *  4.3762% (0.57   0.21  19.23) =   0.100%
          HH2   TRP   87 - HN    CYS   21  13.25 +/- 0.86   0.041% *  0.2325% (0.32   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  14.80 +/- 2.48   0.035% *  0.0519% (0.07   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  21.57 +/- 1.74   0.002% *  0.7358% (1.00   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  17.38 +/- 0.87   0.008% *  0.1319% (0.18   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.75 +/- 0.99   0.002% *  0.2325% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 14.7:
          HN    ALA   20 - HN    CYS   21   4.27 +/- 0.07  99.994% * 99.7870% (0.95   2.96  14.70) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.68 +/- 0.99   0.006% *  0.2130% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 55.6:
        T HN    ALA  120 - HN    ILE  119   2.59 +/- 0.05  98.540% * 99.4047% (1.00 10.00   5.55  55.62) =  99.999%  kept
          HE21  GLN  116 - HN    ILE  119   5.76 +/- 1.03   1.396% *  0.0796% (0.80  1.00   0.02  14.77) =   0.001%
          HN    ALA   57 - HN    ILE  119  11.08 +/- 0.81   0.018% *  0.0722% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.60 +/- 0.23   0.021% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.51 +/- 1.78   0.021% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.51 +/- 1.00   0.000% *  0.3141% (0.32 10.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  16.67 +/- 1.01   0.001% *  0.0228% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  21.08 +/- 1.95   0.000% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  23.66 +/- 1.93   0.000% *  0.0252% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  22.50 +/- 1.42   0.000% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  20.37 +/- 1.58   0.000% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  25.43 +/- 1.32   0.000% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.3, residual support = 37.0:
          HB    THR  118 - HN    ILE  119   2.89 +/- 0.27  99.971% * 98.0475% (0.98   5.30  37.05) = 100.000%  kept
          HA    ILE   89 - HN    ILE  119  17.25 +/- 0.96   0.003% *  0.3385% (0.90   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  15.16 +/- 1.08   0.006% *  0.0912% (0.24   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  15.70 +/- 0.66   0.005% *  0.1070% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  19.33 +/- 2.26   0.001% *  0.2885% (0.76   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  16.65 +/- 0.59   0.003% *  0.1070% (0.28   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  16.70 +/- 1.02   0.003% *  0.0866% (0.23   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  15.41 +/- 1.24   0.006% *  0.0490% (0.13   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  23.08 +/- 2.26   0.000% *  0.3385% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.60 +/- 1.10   0.001% *  0.1169% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  24.75 +/- 1.60   0.000% *  0.2741% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  27.35 +/- 0.81   0.000% *  0.1552% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.7, residual support = 257.4:
          HG12  ILE  119 - HN    ILE  119   2.24 +/- 0.23  99.546% * 97.6894% (0.90   7.70 257.41) = 100.000%  kept
          HB2   ASP- 105 - HN    ILE  119   7.14 +/- 2.87   0.272% *  0.0383% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   7.37 +/- 0.56   0.091% *  0.0802% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.16 +/- 0.55   0.054% *  0.0863% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.53 +/- 1.10   0.004% *  0.2537% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.77 +/- 0.52   0.016% *  0.0470% (0.17   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.70 +/- 1.11   0.002% *  0.2730% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  12.16 +/- 1.14   0.006% *  0.0825% (0.29   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  13.22 +/- 1.44   0.003% *  0.0716% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  17.91 +/- 1.16   0.000% *  0.2804% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  16.28 +/- 2.08   0.001% *  0.1163% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  13.39 +/- 1.22   0.003% *  0.0368% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.98 +/- 1.64   0.000% *  0.2265% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  16.53 +/- 1.33   0.001% *  0.0886% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  22.65 +/- 1.56   0.000% *  0.2612% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.80 +/- 1.01   0.000% *  0.0802% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  26.55 +/- 1.23   0.000% *  0.1489% (0.53   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  21.16 +/- 2.19   0.000% *  0.0305% (0.11   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.88 +/- 1.11   0.000% *  0.0121% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.54 +/- 2.32   0.000% *  0.0965% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.54, residual support = 257.4:
      O   HB    ILE  119 - HN    ILE  119   2.41 +/- 0.15  99.194% * 99.0354% (0.92  10.0   7.54 257.41) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   6.01 +/- 0.80   0.600% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.68 +/- 0.55   0.112% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.81 +/- 1.41   0.030% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  11.32 +/- 1.34   0.015% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  12.22 +/- 1.04   0.006% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.45 +/- 0.25   0.016% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  15.83 +/- 2.43   0.002% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.08 +/- 1.39   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  11.06 +/- 0.28   0.012% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.97 +/- 0.55   0.004% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  14.00 +/- 1.09   0.003% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  20.51 +/- 1.48   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  19.36 +/- 2.47   0.001% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  21.42 +/- 3.02   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  21.35 +/- 1.35   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  18.93 +/- 1.91   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  19.82 +/- 1.53   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  18.64 +/- 1.28   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  19.36 +/- 1.55   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.85 +/- 1.17   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  21.57 +/- 0.94   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  23.36 +/- 1.21   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  29.20 +/- 0.93   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.925, support = 6.8, residual support = 237.0:
          HG13  ILE  119 - HN    ILE  119   3.29 +/- 0.50  48.193% * 85.1673% (0.99   7.12 257.41) =  91.733%  kept
          QB    ALA   20 - HN    CYS   21   3.51 +/- 0.02  30.224% *  8.7130% (0.19   3.76  14.70) =   5.886%  kept
          QG1   VAL  107 - HN    ILE  119   4.34 +/- 1.57  20.723% *  5.1386% (0.20   2.15   0.02) =   2.380%  kept
          HG2   LYS+ 121 - HN    ILE  119   6.88 +/- 0.50   0.598% *  0.0602% (0.25   0.02   2.63) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119   9.58 +/- 1.56   0.127% *  0.1465% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   9.01 +/- 0.42   0.112% *  0.0371% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.79 +/- 0.55   0.013% *  0.0761% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.62 +/- 0.93   0.001% *  0.1465% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  21.36 +/- 2.20   0.001% *  0.2410% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.64 +/- 1.62   0.002% *  0.0756% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.46 +/- 1.03   0.004% *  0.0151% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  22.39 +/- 1.15   0.000% *  0.1176% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.84 +/- 2.29   0.000% *  0.0463% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.44 +/- 1.41   0.000% *  0.0190% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (0.99, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.361, support = 0.0198, residual support = 6.35:
          HG3   LYS+  74 - HN    CYS   21   5.07 +/- 0.53  68.050% *  3.7747% (0.23   0.02  10.02) =  58.184%  kept
          HB    VAL   75 - HN    CYS   21   6.47 +/- 0.90  22.844% *  3.9726% (0.24   0.02   2.50) =  20.556%  kept
          QD1   LEU   67 - HN    ILE  119  10.78 +/- 3.20   3.794% * 15.1858% (0.92   0.02   0.02) =  13.050%  kept
          QD2   LEU   40 - HN    ILE  119  10.99 +/- 2.45   1.075% * 15.5616% (0.95   0.02   0.02) =   3.791%  kept
          QG2   ILE  103 - HN    ILE  119  11.21 +/- 1.84   0.706% * 13.7407% (0.84   0.02   0.02) =   2.198%  kept
          QD1   LEU   67 - HN    CYS   21  11.53 +/- 1.88   0.772% *  4.7985% (0.29   0.02   0.02) =   0.839%  kept
          QD2   LEU   71 - HN    CYS   21   9.35 +/- 0.74   1.899% *  1.2962% (0.08   0.02   0.02) =   0.557%  kept
          QD2   LEU   40 - HN    CYS   21  13.39 +/- 1.05   0.219% *  4.9173% (0.30   0.02   0.02) =   0.244%
          QD1   ILE  103 - HN    ILE  119  13.01 +/- 1.88   0.329% *  2.8810% (0.18   0.02   0.02) =   0.215%
          HG3   LYS+  74 - HN    ILE  119  17.62 +/- 1.13   0.041% * 11.9456% (0.73   0.02   0.02) =   0.112%
          HB    VAL   75 - HN    ILE  119  18.03 +/- 1.45   0.038% * 12.5720% (0.76   0.02   0.02) =   0.109%
          QD2   LEU   71 - HN    ILE  119  16.11 +/- 1.47   0.073% *  4.1020% (0.25   0.02   0.02) =   0.068%
          QG2   ILE  103 - HN    CYS   21  16.49 +/- 0.58   0.057% *  4.3419% (0.26   0.02   0.02) =   0.056%
          QD1   ILE  103 - HN    CYS   21  15.23 +/- 1.03   0.104% *  0.9104% (0.06   0.02   0.02) =   0.021%
    Distance limit 3.48 A violated in 16 structures by 1.20 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.75, residual support = 37.0:
          QG2   THR  118 - HN    ILE  119   3.43 +/- 0.29  99.984% * 99.9065% (0.57   6.75  37.05) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.24 +/- 1.19   0.016% *  0.0935% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.805, support = 4.02, residual support = 50.6:
          QB    ALA  120 - HN    ILE  119   4.15 +/- 0.07  63.650% * 62.0189% (0.80   4.39  55.62) =  88.968%  kept
          HG    LEU  115 - HN    ILE  119   5.42 +/- 1.00  19.742% * 13.9307% (0.80   0.99  10.32) =   6.198%  kept
          HB3   LEU  115 - HN    ILE  119   5.70 +/- 0.68  11.407% * 17.4730% (0.95   1.05  10.32) =   4.492%  kept
          HG    LEU   73 - HN    CYS   21   7.04 +/- 0.78   3.340% *  4.4553% (0.15   1.64   3.85) =   0.335%
          QG    LYS+  66 - HN    ILE  119   8.93 +/- 1.79   1.253% *  0.1088% (0.31   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ILE  119  13.52 +/- 3.78   0.202% *  0.3493% (0.99   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  13.32 +/- 2.89   0.092% *  0.3334% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  14.43 +/- 2.68   0.051% *  0.1996% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  13.64 +/- 2.75   0.088% *  0.0617% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.12 +/- 2.22   0.040% *  0.1104% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  16.06 +/- 1.26   0.021% *  0.1054% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.98 +/- 3.23   0.010% *  0.2138% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.92 +/- 1.68   0.012% *  0.1716% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  16.22 +/- 1.03   0.019% *  0.0631% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.93 +/- 1.09   0.008% *  0.1054% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  14.81 +/- 1.64   0.036% *  0.0195% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  19.66 +/- 1.79   0.008% *  0.0892% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.45 +/- 1.71   0.014% *  0.0344% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.73 +/- 1.01   0.004% *  0.0892% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.73 +/- 1.06   0.002% *  0.0676% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.75, residual support = 2.5:
          QG2   VAL   75 - HN    CYS   21   4.94 +/- 0.54  95.330% * 98.2475% (1.00   1.75   2.50) =  99.974%  kept
          QG2   VAL   42 - HN    CYS   21  10.50 +/- 0.90   1.219% *  1.0626% (0.95   0.02   0.02) =   0.014%
          QG2   VAL   42 - HN    ILE  119   9.49 +/- 1.85   3.309% *  0.3358% (0.30   0.02   0.02) =   0.012%
          QG2   VAL   75 - HN    ILE  119  15.21 +/- 0.83   0.142% *  0.3542% (0.32   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 7 structures by 0.64 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.73, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.19 +/- 0.09  99.997% * 99.6430% (0.84  10.0   3.73  15.23) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.78 +/- 0.87   0.001% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  14.10 +/- 0.45   0.002% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.39 +/- 1.69   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.93 +/- 0.68   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  25.47 +/- 1.50   0.000% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 25.5:
          QG2   ILE   19 - HN    ALA   20   2.54 +/- 0.35  99.998% * 99.7548% (0.99   3.68  25.47) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  15.33 +/- 0.84   0.002% *  0.2452% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.81, residual support = 172.4:
      O   HB    ILE   19 - HN    ILE   19   2.45 +/- 0.20  99.376% * 99.4048% (0.97  10.0   5.81 172.42) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   5.96 +/- 0.22   0.528% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.20 +/- 0.44   0.082% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.59 +/- 1.24   0.005% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.61 +/- 1.61   0.005% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.32 +/- 0.51   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  19.03 +/- 1.14   0.001% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  18.14 +/- 1.04   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.81 +/- 1.21   0.001% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.68 +/- 1.55   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.723, support = 6.11, residual support = 171.6:
          HG12  ILE   19 - HN    ILE   19   2.99 +/- 0.68  89.537% * 91.4086% (0.73   6.14 172.42) =  99.486%  kept
          HB3   LYS+  74 - HN    ILE   19   5.82 +/- 1.07   7.436% *  5.5632% (0.18   1.55   6.31) =   0.503%  kept
          HG    LEU   73 - HN    ILE   19   6.13 +/- 0.38   2.150% *  0.3285% (0.80   0.02   4.00) =   0.009%
          HB3   LEU   67 - HN    ILE   19   9.26 +/- 1.80   0.242% *  0.4103% (1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ILE   19   9.91 +/- 1.45   0.187% *  0.3959% (0.97   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE   19   9.63 +/- 2.62   0.346% *  0.0913% (0.22   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE   19  13.01 +/- 1.72   0.028% *  0.3881% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  13.16 +/- 0.64   0.020% *  0.3427% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  12.32 +/- 1.24   0.030% *  0.1266% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  14.29 +/- 0.89   0.014% *  0.1266% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  17.01 +/- 1.33   0.004% *  0.3285% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  17.41 +/- 1.13   0.003% *  0.1266% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  20.97 +/- 1.17   0.001% *  0.2818% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  20.84 +/- 2.07   0.001% *  0.0812% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.81, residual support = 172.4:
          HG13  ILE   19 - HN    ILE   19   3.10 +/- 0.73  94.598% * 97.9672% (0.97   5.82 172.42) =  99.981%  kept
          HG2   LYS+  74 - HN    ILE   19   6.95 +/- 1.08   3.295% *  0.3460% (0.99   0.02   6.31) =   0.012%
          HG    LEU   71 - HN    ILE   19   7.57 +/- 0.89   1.399% *  0.3422% (0.98   0.02   0.02) =   0.005%
          QG2   THR   39 - HN    ILE   19   9.04 +/- 0.82   0.331% *  0.2398% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   9.02 +/- 0.48   0.308% *  0.0472% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  13.05 +/- 1.56   0.043% *  0.0871% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  17.10 +/- 1.16   0.008% *  0.3483% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  17.68 +/- 0.68   0.005% *  0.2398% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  16.81 +/- 0.68   0.007% *  0.1310% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  18.42 +/- 0.91   0.004% *  0.1435% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  23.24 +/- 1.28   0.001% *  0.1078% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.88, residual support = 23.4:
          QG1   VAL   18 - HN    ILE   19   2.87 +/- 0.39  93.792% * 96.4137% (0.34   4.88  23.45) =  99.946%  kept
          QD1   LEU   71 - HN    ILE   19   5.93 +/- 1.44   6.064% *  0.7957% (0.69   0.02   0.02) =   0.053%
          QG1   VAL   70 - HN    ILE   19   9.02 +/- 0.87   0.134% *  0.5194% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  15.39 +/- 1.46   0.006% *  0.7957% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  17.85 +/- 0.92   0.002% *  1.1179% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  16.95 +/- 1.25   0.003% *  0.3575% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.858, support = 4.93, residual support = 57.2:
          QG2   VAL   18 - HN    ILE   19   3.19 +/- 0.64  53.737% * 57.4847% (0.97   4.88  23.45) =  75.042%  kept
          QD1   ILE   19 - HN    ILE   19   3.77 +/- 0.71  25.091% * 37.5721% (0.57   5.43 172.42) =  22.901%  kept
          QD2   LEU   73 - HN    ILE   19   3.69 +/- 0.62  20.734% *  4.0791% (0.22   1.50   4.00) =   2.055%  kept
          QG1   VAL   43 - HN    ILE   19   8.63 +/- 0.65   0.184% *  0.2421% (0.99   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE   19   8.93 +/- 0.68   0.143% *  0.2191% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE   19  10.13 +/- 0.57   0.064% *  0.2191% (0.90   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE   19  11.16 +/- 0.66   0.040% *  0.0833% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  15.31 +/- 1.10   0.006% *  0.1004% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.694, support = 4.27, residual support = 24.5:
          HG12  ILE   19 - HN    ALA   20   5.09 +/- 0.60  53.352% * 88.7699% (0.73   4.44  25.47) =  94.169%  kept
          HB3   LYS+  74 - HN    ALA   20   5.39 +/- 0.53  40.577% *  7.1649% (0.18   1.49   8.19) =   5.781%  kept
          HG    LEU   73 - HN    ALA   20   8.28 +/- 0.77   4.165% *  0.4410% (0.80   0.02   0.02) =   0.037%
          QB    ALA   61 - HN    ALA   20  11.97 +/- 1.79   0.477% *  0.5315% (0.97   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ALA   20  13.42 +/- 1.84   0.304% *  0.5507% (1.00   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ALA   20  12.17 +/- 0.80   0.311% *  0.4600% (0.84   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ALA   20  13.72 +/- 2.79   0.483% *  0.1226% (0.22   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  13.41 +/- 0.84   0.175% *  0.1700% (0.31   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   20  16.66 +/- 1.77   0.055% *  0.5210% (0.95   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   20  18.87 +/- 1.38   0.023% *  0.4410% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  16.43 +/- 1.29   0.057% *  0.1700% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  20.59 +/- 1.09   0.013% *  0.1700% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  24.26 +/- 1.14   0.005% *  0.3783% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  24.88 +/- 1.75   0.004% *  0.1090% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.196, support = 2.7, residual support = 9.72:
          HB3   LYS+  74 - HN    CYS   21   2.90 +/- 0.52  93.074% * 13.0688% (0.18   2.74  10.02) =  95.685%  kept
          HG12  ILE   19 - HN    CYS   21   7.17 +/- 0.21   0.584% * 43.3845% (0.73   2.20   0.10) =   1.994%  kept
          HG    LEU   73 - HN    CYS   21   7.04 +/- 0.78   0.602% * 35.8128% (0.80   1.64   3.85) =   1.696%  kept
          HB3   LEU  115 - HN    ILE  119   5.70 +/- 0.68   2.733% *  2.7815% (0.10   1.05  10.32) =   0.598%  kept
          HG    LEU   80 - HN    CYS   21   8.11 +/- 0.81   0.311% *  0.4546% (0.84   0.02   0.47) =   0.011%
          HD3   LYS+ 121 - HN    ILE  119   6.60 +/- 1.08   1.901% *  0.0340% (0.06   0.02   2.63) =   0.005%
          QG    LYS+  66 - HN    ILE  119   8.93 +/- 1.79   0.301% *  0.1627% (0.30   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    CYS   21   9.32 +/- 0.91   0.213% *  0.1680% (0.31   0.02   0.47) =   0.003%
          QB    ALA   61 - HN    CYS   21  12.45 +/- 1.60   0.021% *  0.5252% (0.97   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ILE  119  10.62 +/- 0.59   0.063% *  0.1660% (0.30   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  119  10.46 +/- 0.88   0.070% *  0.1377% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  14.81 +/- 1.64   0.007% *  0.5442% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  13.64 +/- 2.75   0.022% *  0.1720% (0.32   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  16.77 +/- 1.33   0.004% *  0.4358% (0.80   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE  119  13.52 +/- 3.78   0.042% *  0.0383% (0.07   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  13.32 +/- 2.89   0.026% *  0.0531% (0.10   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.45 +/- 1.71   0.003% *  0.5148% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.12 +/- 2.22   0.007% *  0.1212% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  16.06 +/- 1.26   0.004% *  0.1680% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.92 +/- 1.68   0.003% *  0.1377% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.93 +/- 1.09   0.002% *  0.1680% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.98 +/- 3.23   0.002% *  0.1181% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.73 +/- 1.06   0.001% *  0.3738% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  19.59 +/- 2.07   0.001% *  0.1249% (0.23   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  22.85 +/- 0.83   0.001% *  0.1436% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.71 +/- 0.84   0.002% *  0.0301% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  23.58 +/- 1.67   0.000% *  0.1077% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  22.98 +/- 1.32   0.001% *  0.0531% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.2:
      O   QG    GLN   17 - HE21  GLN   17   2.35 +/- 0.41  99.990% * 99.5957% (0.48  10.0   3.17  84.24) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  13.05 +/- 1.66   0.006% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  18.56 +/- 1.87   0.001% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  16.82 +/- 1.66   0.002% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  19.71 +/- 1.99   0.001% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.64 +/- 1.27   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  29.00 +/- 2.29   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.47, residual support = 50.1:
        T HN    VAL   18 - HN    GLN   17   4.41 +/- 0.03  99.525% * 99.9055% (0.73 10.00   5.47  50.11) = 100.000%  kept
          HN    SER   13 - HN    GLN   17  10.84 +/- 0.54   0.475% *  0.0945% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.47, residual support = 50.1:
        T HN    GLN   17 - HN    VAL   18   4.41 +/- 0.03  99.852% * 99.7850% (0.89 10.00   5.47  50.11) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.53 +/- 1.06   0.141% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  21.82 +/- 0.49   0.007% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 2.31, residual support = 6.31:
        T HN    LYS+  74 - HN    ILE   19   4.57 +/- 0.78  99.493% * 99.4791% (0.41 10.00   2.31   6.31) =  99.999%  kept
          HN    THR   46 - HN    ILE   19  11.53 +/- 0.79   0.454% *  0.2021% (0.84  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE   19  19.13 +/- 1.08   0.024% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  20.97 +/- 1.67   0.020% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  23.17 +/- 1.91   0.010% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 4 structures by 0.42 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.849, support = 2.84, residual support = 3.0:
          HN    THR   26 - HN    VAL   24   4.41 +/- 0.13  81.322% * 88.5486% (0.87   2.88   2.79) =  97.212%  kept
          HN    LEU   80 - HN    VAL   24   5.91 +/- 0.85  18.625% * 11.0891% (0.20   1.58  10.33) =   2.788%  kept
          HN    ALA   34 - HN    VAL   24  15.41 +/- 0.24   0.045% *  0.0960% (0.14   0.02   0.02) =   0.000%
          HN    CYSS  53 - HN    VAL   24  20.42 +/- 0.80   0.008% *  0.2663% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.38, residual support = 25.5:
          HN    THR   23 - HN    VAL   24   4.35 +/- 0.12  95.427% * 98.2422% (0.98   4.38  25.50) =  99.987%  kept
          HE3   TRP   27 - HN    VAL   24   8.21 +/- 0.81   3.033% *  0.3497% (0.76   0.02  25.79) =   0.011%
          HD2   HIS   22 - HN    VAL   24   8.72 +/- 0.16   1.471% *  0.1019% (0.22   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    VAL   24  16.34 +/- 0.97   0.037% *  0.4536% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  17.71 +/- 1.48   0.024% *  0.1561% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  23.82 +/- 0.81   0.004% *  0.3822% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  23.58 +/- 1.38   0.004% *  0.3143% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 6.06:
          HE1   TRP   87 - HE1   TRP   27   3.98 +/- 1.55 100.000% *100.0000% (0.53   0.75   6.06) = 100.000%  kept
    Distance limit 3.98 A violated in 4 structures by 0.58 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 18.7:
        T HN    ALA   34 - HN    ASN   35   2.70 +/- 0.03  97.194% * 98.9220% (0.98 10.00   4.04  18.75) =  99.998%  kept
          HN    GLN   32 - HN    ASN   35   4.87 +/- 0.09   2.805% *  0.0531% (0.53  1.00   0.02   6.57) =   0.002%
        T HN    LEU   80 - HN    ASN   35  20.09 +/- 0.51   0.001% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  21.32 +/- 0.62   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
          HN    CYSS  53 - HN    ASN   35  27.76 +/- 0.57   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 18.8:
        T HN    SER   37 - HN    GLU-  36   2.46 +/- 0.08  99.999% * 99.7690% (0.98 10.00   3.97  18.80) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.62 +/- 0.53   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  22.61 +/- 0.56   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  24.92 +/- 2.21   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.29, residual support = 22.5:
        T HN    LYS+  38 - HN    THR   39   2.56 +/- 0.03  99.970% * 99.8693% (1.00 10.00   5.29  22.48) = 100.000%  kept
          HN    LEU   31 - HN    THR   39   9.94 +/- 0.32   0.030% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.47 +/- 0.90   0.000% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.76 +/- 1.24   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   3.08 +/- 0.31  99.655% * 99.8546% (0.76   4.00  16.41) =  99.999%  kept
          HN    PHE   72 - HN    VAL   43   8.22 +/- 0.33   0.345% *  0.1454% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.43, residual support = 7.39:
          HN    LEU   73 - HN    ASP-  44   3.55 +/- 0.44  96.644% * 70.6192% (0.38   4.46   7.49) =  98.644%  kept
          HN    VAL   42 - HN    ASP-  44   6.46 +/- 0.23   3.285% * 28.5392% (0.38   1.80   0.02) =   1.355%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.45 +/- 0.40   0.071% *  0.8416% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.6, residual support = 33.7:
          HN    VAL   42 - HN    VAL   43   4.33 +/- 0.16  70.127% * 66.1751% (0.38   6.13  38.90) =  82.704%  kept
          HN    LEU   73 - HN    VAL   43   5.04 +/- 0.31  29.175% * 33.2509% (0.38   3.08   8.77) =  17.289%  kept
          HN    LYS+ 106 - HN    VAL   43   9.43 +/- 0.31   0.698% *  0.5740% (1.00   0.02   0.02) =   0.007%
    Distance limit 4.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.854, support = 0.02, residual support = 0.02:
          HN    ALA   84 - HN    ASP-  44  11.48 +/- 0.35  36.687% * 23.7147% (1.00   0.02   0.02) =  44.566%  kept
          HN    LEU   63 - HN    ASP-  44  11.29 +/- 0.60  40.799% * 15.3753% (0.65   0.02   0.02) =  32.133%  kept
          HN    ILE   56 - HN    ASP-  44  14.18 +/- 1.09  11.106% * 18.1638% (0.76   0.02   0.02) =  10.334%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.04 +/- 1.06   7.699% * 23.7147% (1.00   0.02   0.02) =   9.352%  kept
          HE21  GLN   32 - HN    ASP-  44  17.10 +/- 1.26   3.708% * 19.0315% (0.80   0.02   0.02) =   3.615%  kept
    Distance limit 4.16 A violated in 20 structures by 5.51 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 0.02, residual support = 0.255:
          QD    PHE   60 - HN    ASP-  44   7.05 +/- 1.06  69.264% * 13.9289% (0.41   0.02   0.47) =  51.861%  kept
          QE    PHE   59 - HN    ASP-  44   9.51 +/- 3.02  25.287% * 31.2761% (0.92   0.02   0.02) =  42.513%  kept
          HN    LYS+  66 - HN    ASP-  44  13.40 +/- 0.99   2.232% * 30.3855% (0.90   0.02   0.02) =   3.645%  kept
          HN    PHE   59 - HN    ASP-  44  13.32 +/- 1.20   1.435% * 19.1819% (0.57   0.02   0.02) =   1.480%  kept
          HN    LYS+  81 - HN    ASP-  44  13.45 +/- 0.39   1.783% *  5.2277% (0.15   0.02   0.02) =   0.501%  kept
    Distance limit 4.44 A violated in 20 structures by 2.07 A, eliminated.
    Peak unassigned.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.68, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  12.86 +/- 1.08  67.760% * 29.1578% (0.63   0.02   0.02) =  63.043%  kept
          HD21  ASN   69 - HN    ASP-  62  14.89 +/- 0.81  29.850% * 36.0114% (0.77   0.02   0.02) =  34.300%  kept
          HN    TRP   87 - HN    ASP-  62  22.51 +/- 0.63   2.391% * 34.8308% (0.75   0.02   0.02) =   2.657%  kept
    Distance limit 3.36 A violated in 20 structures by 8.60 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.85, residual support = 42.4:
        T HN    LEU   63 - HN    ASP-  62   2.59 +/- 0.09  99.955% * 98.0197% (0.32 10.00   5.85  42.44) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.71 +/- 0.58   0.039% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  13.62 +/- 1.74   0.006% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  22.73 +/- 0.71   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  27.26 +/- 1.12   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.924, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   7.72 +/- 0.40  98.778% * 48.0011% (0.92   0.02   0.02) =  98.678%  kept
          HN    ALA  110 - HN    LEU   73  16.44 +/- 1.49   1.222% * 51.9989% (1.00   0.02   0.02) =   1.322%  kept
    Distance limit 3.93 A violated in 20 structures by 3.78 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.427, support = 3.84, residual support = 19.5:
          HN    VAL   75 - HN    ASP-  76   4.31 +/- 0.12  71.510% * 44.3384% (0.28   4.64  27.15) =  66.865%  kept
          HN    ASP-  78 - HN    ASP-  76   5.04 +/- 0.21  28.484% * 55.1624% (0.73   2.21   4.10) =  33.135%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.59 +/- 1.12   0.005% *  0.3081% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  29.66 +/- 2.95   0.001% *  0.1911% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 28.0:
        T HN    LYS+ 111 - HN    LYS+ 112   4.39 +/- 0.12  96.968% * 99.6886% (0.87 10.00   5.34  27.98) =  99.998%  kept
          HN    ILE   56 - HN    LYS+ 112   8.53 +/- 1.95   2.807% *  0.0559% (0.49  1.00   0.02   8.56) =   0.002%
          HN    LEU   63 - HN    LYS+ 112  13.62 +/- 1.58   0.219% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  22.67 +/- 1.08   0.006% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  33.95 +/- 2.03   0.001% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.393, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   7.99 +/- 0.94  79.107% * 11.5373% (0.28   0.02   0.02) =  65.315%  kept
          QD    PHE   60 - HN    GLN  116  10.95 +/- 1.55  16.610% * 26.8436% (0.65   0.02   0.02) =  31.909%  kept
          HN    LYS+  66 - HN    GLN  116  13.88 +/- 1.28   3.995% *  8.2119% (0.20   0.02   0.02) =   2.348%  kept
          HN    LYS+  81 - HN    GLN  116  25.82 +/- 1.55   0.076% * 39.2529% (0.95   0.02   0.02) =   0.214%
          HE3   TRP   27 - HN    GLN  116  21.88 +/- 1.03   0.211% * 14.1544% (0.34   0.02   0.02) =   0.214%
    Distance limit 4.24 A violated in 20 structures by 3.33 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 5.97, residual support = 53.7:
      O   HA    ILE  119 - HN    ALA  120   3.62 +/- 0.02  81.674% * 85.9069% (0.80  10.0   6.05  55.62) =  96.527%  kept
          HA    THR  118 - HN    ALA  120   4.66 +/- 0.17  18.223% * 13.8527% (0.67   1.0   3.85   0.13) =   3.473%  kept
          HD3   PRO   58 - HN    ALA  120  11.71 +/- 0.66   0.078% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  15.34 +/- 1.44   0.019% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  24.62 +/- 2.77   0.003% *  0.0793% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  22.54 +/- 0.84   0.001% *  0.0601% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  21.92 +/- 0.86   0.002% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 0.75, residual support = 6.34:
          HA    SER  117 - HN    ALA  120   3.47 +/- 0.15  99.826% * 95.2241% (0.92   0.75   6.34) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  10.86 +/- 1.34   0.130% *  1.3390% (0.49   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    ALA  120  13.93 +/- 0.69   0.026% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  21.64 +/- 2.95   0.018% *  0.4457% (0.16   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  27.91 +/- 0.99   0.000% *  1.9449% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.08, residual support = 115.2:
      O   HG3   GLN  116 - HE21  GLN  116   3.34 +/- 0.34  99.993% * 99.8198% (0.69  10.0   4.08 115.16) = 100.000%  kept
          HB3   TRP   87 - HE21  GLN  116  21.87 +/- 1.69   0.002% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  18.33 +/- 1.21   0.005% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  31.54 +/- 3.15   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.559, support = 2.95, residual support = 71.4:
          HG    LEU  115 - HE21  GLN  116   6.07 +/- 1.43  24.111% * 23.8878% (0.41   3.48 100.68) =  43.185%  kept
          QB    ALA  120 - HE21  GLN  116   4.60 +/- 1.36  67.409% *  5.7529% (0.41   0.84   0.25) =  29.077%  kept
          HB3   LEU  115 - HE21  GLN  116   7.51 +/- 1.34   5.397% * 68.4445% (0.95   4.34 100.68) =  27.699%  kept
          QG    LYS+  66 - HE21  GLN  116  10.01 +/- 2.66   1.638% *  0.2292% (0.69   0.02   0.02) =   0.028%
          QB    ALA   61 - HE21  GLN  116  10.79 +/- 2.18   0.838% *  0.1138% (0.34   0.02   0.02) =   0.007%
          QB    ALA  110 - HE21  GLN  116  10.91 +/- 1.60   0.471% *  0.0584% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - HE21  GLN  116  16.39 +/- 3.60   0.057% *  0.2895% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE21  GLN  116  16.45 +/- 2.93   0.037% *  0.1624% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - HE21  GLN  116  17.74 +/- 2.41   0.018% *  0.3157% (0.95   0.02   0.02) =   0.000%
          HG    LEU   73 - HE21  GLN  116  21.91 +/- 1.68   0.006% *  0.2895% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  18.68 +/- 2.39   0.014% *  0.0743% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  23.66 +/- 2.16   0.003% *  0.3157% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  26.30 +/- 1.73   0.002% *  0.0660% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.386, support = 0.998, residual support = 0.349:
          HB    ILE  119 - HN    SER  117   5.30 +/- 0.29  33.909% * 53.2159% (0.20   1.62   0.50) =  54.583%  kept
          QB    GLU- 114 - HN    SER  117   4.82 +/- 0.24  59.532% * 24.8591% (0.61   0.25   0.17) =  44.764%  kept
          HB2   LYS+ 111 - HN    SER  117   7.28 +/- 0.99   6.481% *  3.3037% (1.00   0.02   0.02) =   0.648%  kept
          HB3   PRO   68 - HN    SER  117  19.30 +/- 2.05   0.018% *  2.7656% (0.84   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    SER  117  18.17 +/- 2.55   0.029% *  1.4844% (0.45   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    SER  117  22.24 +/- 1.51   0.007% *  3.3037% (1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    SER  117  23.26 +/- 1.51   0.005% *  3.3037% (1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    SER  117  22.61 +/- 1.09   0.006% *  1.7420% (0.53   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  24.51 +/- 1.10   0.004% *  1.4844% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.96 +/- 1.90   0.004% *  0.8256% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  23.65 +/- 0.79   0.004% *  0.6553% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  31.75 +/- 1.04   0.001% *  3.0565% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.857, support = 2.2, residual support = 3.7:
          QB    ALA  120 - HN    SER  117   4.51 +/- 0.41  65.973% * 16.3322% (0.84   1.24   6.34) =  44.115%  kept
          HG    LEU  115 - HN    SER  117   5.66 +/- 0.68  19.939% * 38.2620% (0.84   2.90   1.62) =  31.235%  kept
          HB3   LEU  115 - HN    SER  117   6.00 +/- 0.32  13.633% * 44.1557% (0.92   3.03   1.62) =  24.647%  kept
          QG    LYS+  66 - HN    SER  117  11.75 +/- 1.42   0.309% *  0.0878% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  17.20 +/- 3.35   0.047% *  0.3097% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  16.46 +/- 1.67   0.033% *  0.2916% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  17.67 +/- 1.52   0.021% *  0.1916% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  20.64 +/- 2.37   0.009% *  0.1789% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  17.34 +/- 2.20   0.028% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  20.97 +/- 1.36   0.007% *  0.1416% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 2.97, residual support = 16.7:
          HB2   PHE   97 - HN    LEU  104   3.39 +/- 0.37  89.799% * 80.3214% (1.00   3.02  17.06) =  97.810%  kept
          QE    LYS+ 106 - HN    LEU  104   5.73 +/- 1.17   8.688% * 18.5536% (0.76   0.91   0.02) =   2.186%  kept
          QE    LYS+  99 - HN    LEU  104   7.30 +/- 0.76   1.477% *  0.2003% (0.38   0.02  16.67) =   0.004%
          HB3   TRP   27 - HN    LEU  104  16.40 +/- 0.64   0.008% *  0.5290% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  16.42 +/- 1.37   0.010% *  0.3022% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  14.70 +/- 1.06   0.018% *  0.0935% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.944, support = 5.48, residual support = 35.0:
          HG12  ILE  103 - HN    LEU  104   4.35 +/- 0.38  77.239% * 83.2567% (0.97   5.64  36.59) =  95.682%  kept
          QB    LYS+ 102 - HN    LEU  104   5.71 +/- 0.45  18.974% * 15.2387% (0.49   2.05   0.02) =   4.302%  kept
          HB    VAL   41 - HN    LEU  104   7.65 +/- 0.78   3.379% *  0.3060% (1.00   0.02   0.02) =   0.015%
          QB    LYS+  66 - HN    LEU  104  13.46 +/- 1.12   0.097% *  0.2895% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  11.85 +/- 0.65   0.214% *  0.1044% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  16.20 +/- 2.78   0.040% *  0.2339% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  16.38 +/- 0.90   0.029% *  0.2222% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.01 +/- 0.75   0.023% *  0.1148% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  21.64 +/- 1.12   0.006% *  0.2339% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 1.63, residual support = 26.4:
          QB    LEU   98 - HN    ILE  103   4.28 +/- 0.68  99.528% * 88.0138% (0.61   1.63  26.41) =  99.993%  kept
          HD3   LYS+ 121 - HN    ILE  103  13.54 +/- 3.82   0.259% *  1.5938% (0.90   0.02   0.02) =   0.005%
          QB    ALA  110 - HN    ILE  103  17.87 +/- 1.06   0.032% *  1.4230% (0.80   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  103  19.03 +/- 1.05   0.019% *  1.7420% (0.98   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  19.32 +/- 1.48   0.021% *  1.5416% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  103  18.35 +/- 2.40   0.043% *  0.7306% (0.41   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  19.00 +/- 1.38   0.017% *  1.3582% (0.76   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  18.13 +/- 1.71   0.047% *  0.4431% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.42 +/- 0.65   0.011% *  1.5416% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.93 +/- 0.42   0.015% *  1.0061% (0.57   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  24.36 +/- 2.38   0.007% *  0.6062% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 1 structures by 0.22 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.733, support = 5.14, residual support = 32.7:
          QD2   LEU  104 - HN    ILE  103   4.70 +/- 0.85  27.627% * 79.7211% (1.00   5.59  36.59) =  61.428%  kept
          QD1   LEU   98 - HN    ILE  103   3.56 +/- 0.74  70.944% * 19.4930% (0.31   4.43  26.41) =  38.569%  kept
          QG1   VAL   43 - HN    ILE  103   8.12 +/- 0.62   0.592% *  0.0972% (0.34   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    ILE  103   7.67 +/- 0.68   0.819% *  0.0564% (0.20   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  103  16.70 +/- 0.95   0.008% *  0.2751% (0.97   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.96 +/- 0.90   0.005% *  0.1958% (0.69   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  17.69 +/- 0.66   0.005% *  0.1614% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.87, residual support = 218.9:
          QD1   LEU  104 - HN    LEU  104   3.98 +/- 0.57  95.330% * 97.1222% (0.41   6.88 218.98) =  99.983%  kept
          QD2   LEU   63 - HN    LEU  104   9.30 +/- 1.14   0.921% *  0.4990% (0.73   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    LEU  104   9.57 +/- 0.84   0.657% *  0.6631% (0.97   0.02   0.02) =   0.005%
          QG2   VAL   41 - HN    LEU  104   7.83 +/- 0.67   2.495% *  0.1360% (0.20   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU  104  10.19 +/- 0.64   0.469% *  0.6631% (0.97   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU  104  13.28 +/- 1.23   0.091% *  0.4720% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  104  15.50 +/- 0.73   0.037% *  0.4445% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (0.71, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.37, support = 5.29, residual support = 31.1:
          QD2   LEU  104 - HN    ASP- 105   4.31 +/- 0.35  84.049% * 35.7748% (0.18   6.36  41.44) =  74.749%  kept
          QD1   LEU   98 - HN    ASP- 105   5.86 +/- 0.67  15.905% * 63.8618% (0.95   2.10   0.55) =  25.251%  kept
          QG2   ILE   19 - HN    ASP- 105  15.46 +/- 0.62   0.045% *  0.3634% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 136.2:
          HG3   LYS+ 106 - HN    LYS+ 106   2.67 +/- 0.21  98.426% * 95.5362% (0.90   4.02 136.19) =  99.998%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   7.23 +/- 3.61   1.392% *  0.0928% (0.18   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 106   9.45 +/- 0.42   0.056% *  0.2178% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.67 +/- 1.24   0.066% *  0.1179% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  11.99 +/- 0.63   0.014% *  0.5285% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  13.03 +/- 1.37   0.011% *  0.5250% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  13.91 +/- 1.30   0.010% *  0.5112% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.82 +/- 1.05   0.010% *  0.1807% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  15.27 +/- 1.03   0.004% *  0.5285% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  13.81 +/- 0.63   0.006% *  0.1635% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.09 +/- 1.19   0.001% *  0.5285% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  15.37 +/- 2.04   0.003% *  0.0817% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.18 +/- 0.69   0.000% *  0.5192% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.32 +/- 0.56   0.001% *  0.1048% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  25.99 +/- 1.91   0.000% *  0.3638% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.85, residual support = 26.8:
          QG1   VAL  107 - HN    LYS+ 106   4.15 +/- 0.47  99.386% * 97.0495% (0.53   2.85  26.78) =  99.996%  kept
          HG    LEU   63 - HN    LYS+ 106  11.47 +/- 1.02   0.304% *  0.9400% (0.73   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HN    LYS+ 106  14.71 +/- 1.24   0.163% *  0.3996% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   24 - HN    LYS+ 106  17.30 +/- 0.65   0.024% *  1.1229% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  14.71 +/- 1.24   0.108% *  0.1997% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  18.79 +/- 1.04   0.015% *  0.2882% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 1 structures by 0.05 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 62.1:
          QG1   VAL  108 - HN    VAL  108   3.62 +/- 0.06  99.856% * 99.4338% (0.98   4.52  62.13) = 100.000%  kept
          HB3   LEU   63 - HN    VAL  108  12.94 +/- 1.35   0.062% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   40 - HN    VAL  108  12.55 +/- 0.70   0.063% *  0.2183% (0.49   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  16.03 +/- 2.15   0.019% *  0.1118% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.01, residual support = 7.94:
          QG2   ILE   89 - HN    ALA   91   3.56 +/- 0.21  95.698% * 97.8156% (1.00   3.01   7.95) =  99.928%  kept
          QG1   VAL   83 - HN    TRP   27   6.33 +/- 0.79   4.092% *  1.6494% (0.07   0.78   1.97) =   0.072%
          QG1   VAL   83 - HN    ALA   91  11.52 +/- 0.52   0.089% *  0.3421% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  11.33 +/- 0.59   0.105% *  0.0803% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  17.10 +/- 0.66   0.008% *  0.1003% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.20 +/- 0.98   0.008% *  0.0124% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.31, residual support = 40.0:
          HG3   LYS+  99 - HN    GLU- 100   3.93 +/- 0.46  67.753% * 94.9764% (0.45   5.33  40.11) =  99.687%  kept
          QB    ALA   34 - HN    GLU- 100   4.86 +/- 0.56  22.801% *  0.5777% (0.73   0.02   0.02) =   0.204%
          HG3   LYS+  38 - HN    GLU- 100   6.50 +/- 1.06   4.882% *  0.7885% (0.99   0.02   0.02) =   0.060%
          QG2   THR   39 - HN    GLU- 100   6.58 +/- 0.78   4.056% *  0.7526% (0.95   0.02   0.02) =   0.047%
          HG    LEU   71 - HN    GLU- 100   9.33 +/- 1.17   0.468% *  0.2986% (0.38   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    GLU- 100  15.67 +/- 1.40   0.020% *  0.5146% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  19.27 +/- 2.26   0.006% *  0.7135% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  20.14 +/- 0.65   0.004% *  0.7526% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  18.89 +/- 0.68   0.006% *  0.3271% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  19.34 +/- 0.81   0.005% *  0.2986% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.987, residual support = 5.56:
          QB    ALA   84 - HN    LYS+  81   4.49 +/- 0.07  99.607% * 76.1183% (0.57   0.99   5.56) =  99.991%  kept
          HB3   LEU   73 - HN    LYS+  81  13.88 +/- 0.52   0.118% *  2.5147% (0.92   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LYS+  81  15.16 +/- 1.63   0.083% *  1.6523% (0.61   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LYS+  81  14.63 +/- 0.56   0.086% *  0.6065% (0.22   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  19.31 +/- 0.53   0.016% *  2.3630% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LYS+  81  20.41 +/- 0.78   0.012% *  2.7241% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  18.64 +/- 1.13   0.021% *  1.2213% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  22.21 +/- 1.59   0.008% *  2.1813% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  17.65 +/- 0.69   0.028% *  0.5391% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  25.51 +/- 1.16   0.003% *  2.5769% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.43 +/- 1.77   0.003% *  2.6702% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  26.52 +/- 1.89   0.003% *  2.3630% (0.87   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  25.74 +/- 2.42   0.004% *  1.1199% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  22.24 +/- 0.77   0.007% *  0.4203% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  29.25 +/- 1.82   0.002% *  0.9292% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.89, residual support = 213.9:
          QD1   ILE   89 - HN    ILE   89   3.04 +/- 0.35  97.265% * 99.3843% (0.92   5.89 213.94) =  99.990%  kept
          QG2   VAL   83 - HN    ILE   89   5.92 +/- 0.54   2.695% *  0.3647% (1.00   0.02   0.02) =   0.010%
          QD2   LEU   31 - HN    ILE   89  11.63 +/- 0.55   0.040% *  0.2510% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 3.76, residual support = 8.93:
          QB    ALA   88 - HN    ILE   89   3.49 +/- 0.36  57.521% * 57.4945% (0.34   4.49   7.36) =  68.248%  kept
          QB    ALA   84 - HN    ILE   89   3.85 +/- 0.53  42.027% * 36.6029% (0.45   2.18  12.31) =  31.746%  kept
          HB3   LEU   80 - HN    ILE   89   8.42 +/- 0.85   0.347% *  0.7353% (0.98   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HN    ILE   89  12.55 +/- 0.51   0.026% *  0.6266% (0.84   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  12.38 +/- 1.21   0.031% *  0.4247% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  12.31 +/- 0.56   0.030% *  0.3084% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  15.50 +/- 0.77   0.008% *  0.7485% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  16.13 +/- 1.38   0.006% *  0.7353% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  18.51 +/- 0.72   0.003% *  0.6925% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  20.57 +/- 0.57   0.001% *  0.6007% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  24.48 +/- 0.74   0.000% *  0.5153% (0.69   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  24.61 +/- 1.01   0.000% *  0.5153% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.715, support = 3.65, residual support = 33.5:
          QB    ALA   91 - HN    GLN   90   3.97 +/- 0.37  69.386% * 61.1378% (0.84   3.04  32.54) =  79.499%  kept
          HG12  ILE   89 - HN    GLN   90   4.70 +/- 0.59  30.391% * 35.9940% (0.25   6.00  37.03) =  20.500%  kept
          QG2   ILE   56 - HN    GLN   90  12.16 +/- 1.83   0.113% *  0.1805% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLN   90  14.24 +/- 1.38   0.045% *  0.4440% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    GLN   90  13.90 +/- 1.24   0.043% *  0.0952% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  20.07 +/- 0.75   0.004% *  0.4018% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  21.71 +/- 1.54   0.003% *  0.4810% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  21.48 +/- 1.30   0.003% *  0.4314% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  17.47 +/- 0.54   0.010% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  22.79 +/- 0.49   0.002% *  0.4550% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  27.37 +/- 1.01   0.001% *  0.2723% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.58, residual support = 89.6:
      O   HB2   GLN   90 - HN    GLN   90   3.52 +/- 0.38  99.940% * 99.4917% (0.73  10.0   5.58  89.59) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  13.74 +/- 1.26   0.053% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  22.41 +/- 1.38   0.002% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  24.52 +/- 0.81   0.001% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  22.68 +/- 1.05   0.002% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  23.98 +/- 0.76   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  28.03 +/- 0.52   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.54, residual support = 40.1:
          QD2   LEU   73 - HN    PHE   72   3.24 +/- 0.61  92.800% * 98.5672% (0.87   5.54  40.11) =  99.986%  kept
          QG2   VAL   18 - HN    PHE   72   5.83 +/- 0.53   5.468% *  0.1399% (0.34   0.02   2.91) =   0.008%
          QG1   VAL   41 - HN    PHE   72   7.70 +/- 0.42   0.672% *  0.3135% (0.76   0.02   0.02) =   0.002%
          QG1   VAL   43 - HN    PHE   72   7.58 +/- 0.52   0.749% *  0.2323% (0.57   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    PHE   72  10.04 +/- 0.64   0.181% *  0.3959% (0.97   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    PHE   72  11.20 +/- 0.67   0.093% *  0.1023% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  13.93 +/- 1.43   0.037% *  0.2488% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 1 structures by 0.07 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.48, residual support = 37.1:
          QB    ALA   64 - HN    PHE   72   6.00 +/- 0.80  99.658% * 99.8592% (1.00   2.48  37.09) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.13 +/- 0.34   0.342% *  0.1408% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 13 structures by 1.48 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.31, residual support = 6.31:
          HB    ILE   19 - HN    LYS+  74   4.14 +/- 0.73  98.647% * 95.4593% (0.71   2.31   6.31) =  99.992%  kept
          HB2   GLN   17 - HN    LYS+  74   9.91 +/- 0.70   0.694% *  0.5022% (0.43   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    LYS+  74  12.36 +/- 0.53   0.282% *  0.6630% (0.57   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    LYS+  74  11.92 +/- 0.86   0.247% *  0.5022% (0.43   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+  74  17.03 +/- 1.05   0.032% *  0.8116% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  18.23 +/- 0.97   0.023% *  0.8262% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  18.72 +/- 0.83   0.022% *  0.3108% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  17.38 +/- 1.10   0.028% *  0.2065% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  18.43 +/- 1.07   0.018% *  0.2825% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  21.58 +/- 1.25   0.007% *  0.4356% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 2 structures by 0.16 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.43, residual support = 40.8:
          QD1   LEU   73 - HN    LYS+  74   4.88 +/- 0.25  80.423% * 97.1316% (0.37   5.44  40.88) =  99.863%  kept
          QD2   LEU   80 - HN    LYS+  74   6.76 +/- 0.78  14.826% *  0.6085% (0.64   0.02   0.02) =   0.115%
          QD1   LEU   63 - HN    LYS+  74   9.46 +/- 0.96   2.038% *  0.3570% (0.37   0.02   0.02) =   0.009%
          QG1   VAL   83 - HN    LYS+  74  10.10 +/- 1.00   1.280% *  0.5185% (0.54   0.02   0.02) =   0.008%
          QG2   ILE   89 - HN    LYS+  74   9.92 +/- 0.42   1.206% *  0.1188% (0.12   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LYS+  74  14.81 +/- 0.89   0.112% *  0.6770% (0.71   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LYS+  74  15.42 +/- 1.80   0.115% *  0.5886% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.344, support = 4.67, residual support = 28.4:
          QG2   THR   77 - HN    ASP-  78   4.02 +/- 0.14  88.092% * 78.3135% (0.34   4.70  28.62) =  99.119%  kept
          HB3   LEU   80 - HN    ASP-  78   7.00 +/- 0.63   3.824% * 15.6950% (0.69   0.47   2.86) =   0.862%  kept
          QB    ALA   84 - HN    ASP-  78   6.14 +/- 0.41   7.782% *  0.1506% (0.15   0.02   0.02) =   0.017%
          HB3   ASP-  44 - HN    ASP-  78  11.41 +/- 0.60   0.182% *  0.4376% (0.45   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    ASP-  78  12.90 +/- 0.61   0.086% *  0.7088% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  18.76 +/- 0.57   0.009% *  0.8153% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.74 +/- 1.09   0.009% *  0.5526% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  20.59 +/- 1.01   0.005% *  0.8754% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  19.26 +/- 0.97   0.008% *  0.2173% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  26.52 +/- 0.48   0.001% *  0.9760% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  29.01 +/- 0.51   0.001% *  0.9567% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  26.95 +/- 2.36   0.001% *  0.3013% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 0.75:
          QB    ALA   47 - HN    ASP-  78   5.11 +/- 0.91  99.530% * 94.7883% (0.92   0.75   0.75) =  99.987%  kept
          QG1   VAL   42 - HN    ASP-  78  13.56 +/- 0.55   0.441% *  2.6840% (0.98   0.02   0.02) =   0.013%
          HG2   LYS+ 112 - HN    ASP-  78  21.47 +/- 1.83   0.029% *  2.5277% (0.92   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 8 structures by 0.74 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.596, support = 4.37, residual support = 24.2:
          HB    THR   77 - HN    ASP-  78   4.06 +/- 0.12  77.586% * 37.9164% (0.45   4.70  28.62) =  68.880%  kept
          HA    GLU-  79 - HN    ASP-  78   5.03 +/- 0.13  22.015% * 60.3702% (0.92   3.64  14.49) =  31.118%  kept
          HA1   GLY   51 - HN    ASP-  78  12.57 +/- 0.79   0.096% *  0.3587% (1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.59 +/- 0.35   0.148% *  0.1349% (0.38   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  78  12.07 +/- 0.48   0.117% *  0.1612% (0.45   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  15.31 +/- 1.34   0.032% *  0.3225% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  21.63 +/- 0.55   0.003% *  0.2036% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.83 +/- 0.41   0.001% *  0.3470% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  25.65 +/- 2.00   0.002% *  0.0630% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  33.25 +/- 3.08   0.000% *  0.1226% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 36.0:
      O   HA    ASP-  78 - HN    ASP-  78   2.81 +/- 0.05  99.500% * 99.8154% (1.00  10.0   4.57  35.97) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   7.09 +/- 0.36   0.403% *  0.0486% (0.49   1.0   0.02   2.86) =   0.000%
          HA    THR   23 - HN    ASP-  78   9.37 +/- 0.64   0.078% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  11.85 +/- 0.72   0.019% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.21 +/- 0.48   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 8.11, residual support = 214.6:
      O   HA    ILE  119 - HN    ILE  119   2.84 +/- 0.01  74.868% * 50.7779% (1.00  10.0   8.78 257.41) =  80.572%  kept
      O   HA    THR  118 - HN    ILE  119   3.57 +/- 0.04  18.706% * 49.0042% (0.97  10.0   5.30  37.05) =  19.428%  kept
          HA    VAL   75 - HN    CYS   21   4.63 +/- 0.77   6.402% *  0.0028% (0.06   1.0   0.02   2.50) =   0.000%
          HA2   GLY  109 - HN    ILE  119  13.23 +/- 1.06   0.009% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  12.64 +/- 0.67   0.010% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  20.29 +/- 0.88   0.001% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  22.54 +/- 1.91   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  18.31 +/- 1.45   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.39 +/- 1.01   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.15 +/- 1.24   0.000% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  20.61 +/- 0.94   0.001% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  19.78 +/- 0.71   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.716, support = 5.49, residual support = 30.8:
          HB2   CYSS  53 - HN    ARG+  54   3.45 +/- 0.24  88.630% * 83.8787% (0.72   5.53  31.26) =  98.408%  kept
          HD3   PRO   52 - HN    ARG+  54   5.18 +/- 0.08   8.164% * 14.6469% (0.26   2.66   1.73) =   1.583%  kept
          HD2   PRO   58 - HN    ARG+  54   7.58 +/- 1.23   1.566% *  0.3662% (0.87   0.02   0.02) =   0.008%
          HD2   PRO   58 - HN    ASP-  62   6.83 +/- 0.25   1.577% *  0.0685% (0.16   0.02   0.02) =   0.001%
          HB2   CYSS  53 - HN    ASP-  62  12.45 +/- 1.04   0.048% *  0.0567% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  21.83 +/- 0.74   0.001% *  0.3441% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.92 +/- 0.93   0.007% *  0.0206% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  24.84 +/- 1.48   0.001% *  0.1353% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.64 +/- 1.05   0.000% *  0.3313% (0.79   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.79 +/- 1.15   0.001% *  0.0620% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  20.15 +/- 0.65   0.002% *  0.0253% (0.06   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  24.50 +/- 0.98   0.001% *  0.0644% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.914, support = 0.0199, residual support = 0.0199:
          QG2   VAL   18 - HN    ALA   61   7.37 +/- 1.67  69.318% * 17.9827% (0.95   0.02   0.02) =  74.125%  kept
          QG2   THR   46 - HN    ALA   61   9.41 +/- 1.24  18.252% * 16.4898% (0.87   0.02   0.02) =  17.897%  kept
          QG1   VAL   43 - HN    ALA   61  12.93 +/- 0.82   3.261% * 18.9678% (1.00   0.02   0.02) =   3.678%  kept
          QD1   ILE   19 - HN    ALA   61  13.12 +/- 1.15   2.490% * 10.0016% (0.53   0.02   0.02) =   1.481%  kept
          QD2   LEU   73 - HN    ALA   61  11.96 +/- 0.81   4.511% *  4.7402% (0.25   0.02   0.02) =   1.272%  kept
          QG1   VAL   41 - HN    ALA   61  15.84 +/- 0.84   1.013% * 17.5485% (0.92   0.02   0.02) =   1.057%  kept
          QD2   LEU  104 - HN    ALA   61  16.47 +/- 1.12   0.868% *  7.1347% (0.38   0.02   0.02) =   0.368%
          HG    LEU   31 - HN    ALA   61  19.55 +/- 1.14   0.287% *  7.1347% (0.38   0.02   0.02) =   0.122%
    Distance limit 4.53 A violated in 16 structures by 2.36 A, eliminated.
    Peak unassigned.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.96, residual support = 52.1:
          QB    GLU-  36 - HN    ASN   35   4.07 +/- 0.08  96.303% * 98.3843% (0.92   4.96  52.14) =  99.993%  kept
          HB2   LYS+  38 - HN    ASN   35   7.35 +/- 0.06   2.783% *  0.1195% (0.28   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    ASN   35   9.47 +/- 0.50   0.633% *  0.4260% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  10.92 +/- 0.50   0.274% *  0.3121% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  20.84 +/- 1.18   0.006% *  0.3728% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  25.89 +/- 0.80   0.001% *  0.3854% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 44.9:
      O   QB    MET   11 - HN    MET   11   2.85 +/- 0.40  99.918% * 99.3665% (0.69  10.0   3.00  44.93) = 100.000%  kept
          HG3   GLU-  36 - HN    MET   11  15.60 +/- 3.20   0.014% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   11  10.96 +/- 1.00   0.047% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  13.01 +/- 1.38   0.020% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  26.16 +/- 4.14   0.001% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  31.29 +/- 3.38   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  35.13 +/- 2.73   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  27.19 +/- 2.07   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  36.18 +/- 2.77   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  39.42 +/- 2.57   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 44.9:
          HG2   MET   11 - HN    MET   11   3.83 +/- 0.76  99.698% * 97.3782% (0.92   3.31  44.93) =  99.998%  kept
          HB2   GLU-  14 - HN    MET   11  11.46 +/- 1.01   0.254% *  0.6025% (0.95   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    MET   11  17.51 +/- 3.05   0.031% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    MET   11  20.85 +/- 3.81   0.016% *  0.3100% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  35.40 +/- 2.08   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  29.53 +/- 3.59   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  40.52 +/- 2.49   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  34.76 +/- 2.14   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 44.9:
          HG3   MET   11 - HN    MET   11   3.06 +/- 0.54  99.934% * 98.0255% (0.92   3.31  44.93) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.66 +/- 1.20   0.061% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  20.91 +/- 3.37   0.003% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  21.65 +/- 2.82   0.001% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  23.93 +/- 2.87   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  33.98 +/- 2.41   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  31.47 +/- 2.56   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  37.60 +/- 2.55   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.966, support = 0.0199, residual support = 0.0199:
          HG2   LYS+  33 - HN    MET   11  16.77 +/- 2.82  86.209% * 22.9200% (1.00   0.02   0.02) =  92.208%  kept
          HD3   LYS+  74 - HN    MET   11  27.28 +/- 2.02   5.544% * 12.0587% (0.53   0.02   0.02) =   3.120%  kept
          QG    LYS+  81 - HN    MET   11  32.63 +/- 3.20   1.731% * 19.1444% (0.84   0.02   0.02) =   1.546%  kept
          HG    LEU  104 - HN    MET   11  29.97 +/- 3.08   3.279% *  8.6021% (0.38   0.02   0.02) =   1.316%  kept
          HG2   LYS+ 106 - HN    MET   11  35.45 +/- 2.55   1.084% * 17.5161% (0.76   0.02   0.02) =   0.886%  kept
          HB3   LYS+ 121 - HN    MET   11  34.07 +/- 3.83   1.653% *  8.6021% (0.38   0.02   0.02) =   0.664%  kept
          HB3   LYS+ 111 - HN    MET   11  40.78 +/- 2.92   0.500% * 11.1564% (0.49   0.02   0.02) =   0.260%
    Distance limit 4.24 A violated in 20 structures by 12.09 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.59, residual support = 12.1:
          HG2   MET   11 - HN    ALA   12   4.09 +/- 0.29  97.699% * 97.8453% (0.72   3.59  12.13) =  99.987%  kept
          HB2   GLU-  14 - HN    ALA   12   8.32 +/- 1.05   2.230% *  0.5432% (0.72   0.02   0.02) =   0.013%
          HB2   PRO   68 - HN    ALA   12  17.28 +/- 3.76   0.070% *  0.1514% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  31.86 +/- 1.91   0.001% *  0.5336% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  31.37 +/- 1.80   0.001% *  0.2238% (0.30   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  37.30 +/- 2.13   0.000% *  0.5336% (0.71   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  35.91 +/- 2.94   0.000% *  0.0953% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  34.94 +/- 2.07   0.000% *  0.0737% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.73 +/- 0.22  99.979% * 99.1918% (0.68  10.0   2.30  12.37) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  13.61 +/- 2.29   0.018% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  20.82 +/- 2.26   0.001% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  20.35 +/- 2.10   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  22.81 +/- 2.44   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.15 +/- 2.07   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  22.43 +/- 2.11   0.000% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  29.31 +/- 3.29   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.34 +/- 2.10   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.81 +/- 2.71   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  32.54 +/- 3.86   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  37.74 +/- 2.50   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  31.66 +/- 1.79   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.18:
          QB    ALA   12 - HN    SER   13   2.48 +/- 0.46  99.977% * 91.5358% (0.95   1.76   5.18) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  12.30 +/- 1.92   0.017% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  17.95 +/- 1.71   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  19.82 +/- 2.15   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  18.29 +/- 1.44   0.001% *  0.9173% (0.84   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  20.72 +/- 1.74   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  19.42 +/- 1.41   0.001% *  0.4924% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  28.25 +/- 2.98   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  29.25 +/- 1.58   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  26.44 +/- 1.79   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  30.51 +/- 3.10   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  34.94 +/- 2.52   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  28.66 +/- 1.34   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 2.47, residual support = 6.67:
          QB    SER   13 - HN    GLU-  14   3.17 +/- 0.56  99.493% * 95.5751% (0.45   2.47   6.67) =  99.995%  kept
          HB3   SER   37 - HN    GLU-  14  10.34 +/- 2.16   0.345% *  0.9999% (0.58   0.02   0.02) =   0.004%
          HB    THR   39 - HN    GLU-  14  11.48 +/- 1.93   0.161% *  0.8223% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  26.01 +/- 1.73   0.001% *  1.1945% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  28.63 +/- 1.25   0.000% *  0.9999% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  29.12 +/- 2.25   0.000% *  0.4083% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.52, support = 3.79, residual support = 42.7:
          QG    GLU-  14 - HN    GLU-  14   3.78 +/- 0.59  72.323% * 72.2387% (0.53   4.05  48.02) =  88.535%  kept
          QG    GLU-  15 - HN    GLU-  14   4.80 +/- 0.83  26.716% * 25.3209% (0.42   1.79   1.37) =  11.463%  kept
          QB    MET   11 - HN    GLU-  14   8.22 +/- 0.69   0.871% *  0.0924% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  13.14 +/- 0.95   0.049% *  0.3898% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  14.94 +/- 2.08   0.030% *  0.3389% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  17.90 +/- 1.08   0.008% *  0.3389% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  24.22 +/- 1.91   0.001% *  0.4625% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  28.61 +/- 1.18   0.000% *  0.4185% (0.62   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  27.26 +/- 1.74   0.001% *  0.2831% (0.42   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  25.38 +/- 1.74   0.001% *  0.1164% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.86, residual support = 48.0:
      O   HB2   GLU-  14 - HN    GLU-  14   3.20 +/- 0.57  99.707% * 99.6047% (0.70  10.0   3.86  48.02) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.79 +/- 0.92   0.226% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  13.25 +/- 2.78   0.065% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  26.16 +/- 1.37   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  25.42 +/- 1.39   0.001% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  31.35 +/- 1.53   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  29.99 +/- 2.82   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.36 +/- 1.53   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.87, residual support = 48.0:
      O   HB3   GLU-  14 - HN    GLU-  14   3.10 +/- 0.31  99.789% * 99.6986% (0.62  10.0   3.87  48.02) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.63 +/- 1.09   0.203% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  16.50 +/- 1.86   0.007% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  22.91 +/- 1.33   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  29.89 +/- 2.65   0.000% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 84.2:
          QG    GLN   17 - HN    GLN   17   2.49 +/- 0.50  99.816% * 98.8144% (1.00   5.50  84.24) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.73 +/- 1.42   0.174% *  0.3528% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.83 +/- 0.80   0.002% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.26 +/- 0.86   0.001% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  16.58 +/- 1.67   0.003% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  18.26 +/- 1.99   0.002% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  18.04 +/- 0.92   0.002% *  0.0630% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.98, residual support = 79.6:
      O   HB2   GLN   17 - HN    GLN   17   3.85 +/- 0.09  58.030% * 91.6425% (0.92  10.0   5.17  84.24) =  94.472%  kept
          QB    GLU-  15 - HN    GLN   17   4.12 +/- 0.23  39.585% *  7.8563% (0.92   1.0   1.71   0.02) =   5.525%  kept
          HB    ILE   19 - HN    GLN   17   7.40 +/- 0.67   1.345% *  0.0795% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    GLN   17   9.93 +/- 2.15   0.650% *  0.0562% (0.57   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLN   17  10.64 +/- 1.47   0.199% *  0.0721% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLN   17  10.38 +/- 1.07   0.185% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.11 +/- 0.94   0.003% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.44 +/- 1.32   0.002% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  25.51 +/- 1.82   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 84.2:
      O   HB3   GLN   17 - HN    GLN   17   3.24 +/- 0.28  99.307% * 99.6298% (0.98  10.0   5.17  84.24) = 100.000%  kept
          QB    LYS+  65 - HN    GLN   17   9.48 +/- 1.56   0.309% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    GLN   17   9.39 +/- 1.06   0.219% *  0.0777% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17  10.34 +/- 1.40   0.147% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  15.55 +/- 0.81   0.009% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  18.00 +/- 1.06   0.004% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  20.27 +/- 1.00   0.002% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  20.14 +/- 1.23   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  23.64 +/- 0.71   0.001% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 1.94, residual support = 6.04:
          QB    GLU-  15 - HN    GLY   16   2.27 +/- 0.26  99.401% * 93.7975% (0.98   1.94   6.05) =  99.995%  kept
          HB2   GLN   17 - HN    GLY   16   6.19 +/- 0.13   0.309% *  0.9659% (0.98   0.02  16.48) =   0.003%
          HB3   PRO   68 - HN    GLY   16   8.54 +/- 2.06   0.165% *  0.7734% (0.78   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLY   16   8.67 +/- 0.82   0.048% *  0.5468% (0.55   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLY   16   9.23 +/- 1.54   0.049% *  0.4701% (0.47   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLY   16  11.18 +/- 1.29   0.015% *  0.3971% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  11.37 +/- 1.37   0.012% *  0.1692% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  21.10 +/- 1.34   0.000% *  0.9137% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  18.54 +/- 1.86   0.001% *  0.2150% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  21.79 +/- 1.35   0.000% *  0.6248% (0.63   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  18.55 +/- 1.81   0.000% *  0.1692% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  26.12 +/- 2.02   0.000% *  0.9573% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.701, support = 5.81, residual support = 50.1:
          QG    GLN   17 - HN    VAL   18   3.60 +/- 0.27  99.694% * 98.7511% (0.70   5.81  50.11) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18  10.18 +/- 1.29   0.271% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   18  18.50 +/- 0.46   0.006% *  0.3910% (0.81   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   18  15.80 +/- 0.57   0.015% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  19.71 +/- 1.32   0.004% *  0.3216% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  17.41 +/- 1.61   0.010% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 77.2:
      O   HB    VAL   18 - HN    VAL   18   2.25 +/- 0.28  99.295% * 99.4605% (0.70  10.0   4.99  77.20) =  99.999%  kept
          HB2   LEU   67 - HN    VAL   18   8.25 +/- 2.01   0.498% *  0.1296% (0.91   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    VAL   18   6.73 +/- 0.33   0.196% *  0.0305% (0.21   1.0   0.02  23.45) =   0.000%
          HG2   PRO   68 - HN    VAL   18  12.92 +/- 1.55   0.008% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  16.22 +/- 1.50   0.001% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  18.74 +/- 1.37   0.000% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  18.80 +/- 2.57   0.001% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.77 +/- 1.42   0.000% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 50.1:
          HB3   GLN   17 - HN    VAL   18   3.74 +/- 0.07  97.598% * 93.7816% (0.33   5.47  50.11) =  99.977%  kept
          QB    LYS+  65 - HN    VAL   18   8.79 +/- 2.05   1.818% *  0.9012% (0.87   0.02   0.02) =   0.018%
          QB    LYS+  66 - HN    VAL   18  10.61 +/- 1.76   0.331% *  0.8394% (0.81   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    VAL   18  10.72 +/- 0.80   0.201% *  0.8717% (0.84   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    VAL   18  15.26 +/- 0.83   0.023% *  0.6501% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  17.00 +/- 1.26   0.012% *  0.9960% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  21.12 +/- 0.77   0.003% *  0.9698% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  20.46 +/- 1.03   0.004% *  0.4891% (0.47   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  19.02 +/- 1.54   0.006% *  0.2506% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  21.21 +/- 1.48   0.003% *  0.2506% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.908, support = 5.28, residual support = 76.6:
          QG2   VAL   18 - HN    VAL   18   2.81 +/- 0.55  96.192% * 72.5950% (0.91   5.30  77.20) =  98.819%  kept
          QD1   ILE   19 - HN    VAL   18   6.24 +/- 0.97   3.168% * 26.3076% (0.51   3.45  23.45) =   1.180%  kept
          QD2   LEU   73 - HN    VAL   18   7.35 +/- 0.51   0.519% *  0.0722% (0.24   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   18  10.02 +/- 0.57   0.074% *  0.2513% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  11.87 +/- 0.64   0.026% *  0.2890% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  13.16 +/- 0.65   0.013% *  0.2674% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  15.57 +/- 0.72   0.005% *  0.1087% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  17.28 +/- 1.26   0.002% *  0.1087% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.54:
          QB    ALA   64 - HN    VAL   18   4.56 +/- 1.07  99.815% * 99.8615% (0.84   2.25   8.54) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  14.29 +/- 1.44   0.185% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 6 structures by 0.64 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.434, support = 4.27, residual support = 20.3:
          HN    PHE   59 - HN    PHE   60   2.79 +/- 0.10  87.727% * 64.5414% (0.44   4.32  20.55) =  96.921%  kept
          QE    PHE   59 - HN    THR  118   4.43 +/- 0.62   8.341% * 14.5758% (0.16   2.70  10.92) =   2.081%  kept
          QE    PHE   59 - HN    PHE   60   5.42 +/- 0.96   3.294% * 17.6733% (0.28   1.85  20.55) =   0.997%  kept
          HN    HIS  122 - HN    THR  118   6.70 +/- 0.11   0.463% *  0.1428% (0.21   0.02   2.77) =   0.001%
          HN    PHE   59 - HN    THR  118   9.85 +/- 0.97   0.056% *  0.1687% (0.25   0.02  10.92) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.94 +/- 0.35   0.085% *  0.0553% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  12.11 +/- 0.53   0.014% *  0.2527% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  13.63 +/- 1.18   0.007% *  0.1184% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  18.60 +/- 1.73   0.001% *  0.4101% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  20.98 +/- 1.04   0.001% *  0.6395% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.40 +/- 1.32   0.009% *  0.0312% (0.05   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  21.78 +/- 2.31   0.000% *  0.5414% (0.80   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  22.08 +/- 1.19   0.000% *  0.4909% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  20.76 +/- 1.51   0.001% *  0.2291% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  21.32 +/- 1.56   0.000% *  0.1295% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.3, residual support = 41.9:
          HN    ALA   61 - HN    PHE   60   2.71 +/- 0.11  99.966% * 95.0489% (0.47   5.30  41.86) = 100.000%  kept
          HN    ALA   61 - HN    THR  118  12.57 +/- 0.70   0.011% *  0.2025% (0.26   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLU-  15  17.09 +/- 1.19   0.002% *  0.7679% (1.00   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  13.30 +/- 1.34   0.009% *  0.1520% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  17.25 +/- 1.16   0.002% *  0.5868% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  16.20 +/- 0.99   0.002% *  0.3552% (0.46   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  16.24 +/- 0.71   0.002% *  0.2007% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  19.63 +/- 1.50   0.001% *  0.3109% (0.40   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  18.66 +/- 1.59   0.001% *  0.1757% (0.23   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  20.09 +/- 0.83   0.001% *  0.2739% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  24.31 +/- 1.11   0.000% *  0.6661% (0.87   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  17.65 +/- 1.19   0.001% *  0.0628% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  28.75 +/- 0.77   0.000% *  0.7611% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.66 +/- 1.09   0.001% *  0.0355% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  21.23 +/- 1.32   0.000% *  0.0709% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  24.75 +/- 0.99   0.000% *  0.1548% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  24.07 +/- 0.87   0.000% *  0.1345% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  22.04 +/- 2.03   0.000% *  0.0401% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.94, residual support = 72.0:
      O   HB3   PHE   60 - HN    PHE   60   2.72 +/- 0.33  99.604% * 98.9222% (0.47  10.0   4.94  72.03) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   8.26 +/- 1.90   0.259% *  0.0529% (0.25   1.0   0.02   2.30) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.87 +/- 2.52   0.092% *  0.0294% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    THR  118  12.13 +/- 0.71   0.016% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  13.86 +/- 1.19   0.008% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  13.34 +/- 1.58   0.011% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  17.44 +/- 1.35   0.002% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  17.15 +/- 1.10   0.002% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  17.43 +/- 1.37   0.002% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.30 +/- 1.00   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  17.51 +/- 0.94   0.002% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.43 +/- 0.94   0.000% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.90 +/- 1.05   0.000% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  24.87 +/- 1.71   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  25.52 +/- 2.33   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.01, residual support = 20.5:
          HB3   PHE   59 - HN    PHE   60   3.61 +/- 0.40  98.359% * 96.9721% (0.39   4.01  20.55) =  99.995%  kept
          HB3   PHE   59 - HN    THR  118   7.76 +/- 0.97   1.626% *  0.2732% (0.22   0.02  10.92) =   0.005%
          HB3   TRP   49 - HN    PHE   60  17.09 +/- 0.69   0.010% *  0.4635% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  21.61 +/- 0.84   0.003% *  1.0360% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  23.24 +/- 1.57   0.002% *  0.2619% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  29.47 +/- 1.62   0.000% *  0.9932% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.76, residual support = 5.16:
        T HN    SER  117 - HN    THR  118   2.68 +/- 0.15  99.977% * 97.7507% (0.17 10.00   2.76   5.16) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.35 +/- 0.56   0.019% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  15.57 +/- 1.23   0.003% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  21.16 +/- 1.36   0.000% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.73 +/- 0.80   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  25.84 +/- 0.65   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.129, support = 4.32, residual support = 36.8:
          QG2   THR  118 - HN    THR  118   3.62 +/- 0.09  98.370% * 99.1686% (0.13   4.32  36.79) =  99.986%  kept
          QG2   THR  118 - HN    PHE   60   7.68 +/- 0.87   1.630% *  0.8314% (0.23   0.02   0.02) =   0.014%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.24, residual support = 53.8:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  14.760% * 79.4103% (0.22  10.0   4.94  72.03) =  49.855%  kept
      O   HB    THR  118 - HN    THR  118   2.22 +/- 0.14  60.385% * 18.8475% (0.05  10.0   3.55  36.79) =  48.408%  kept
          QB    SER  117 - HN    THR  118   2.63 +/- 0.24  24.830% *  1.6452% (0.03   1.0   3.15   5.16) =   1.738%  kept
          HB    THR  118 - HN    PHE   60   9.09 +/- 0.71   0.015% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.52 +/- 0.86   0.006% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.79 +/- 0.46   0.003% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 3.59, residual support = 36.8:
      O   HA    THR  118 - HN    THR  118   2.81 +/- 0.04  88.277% * 75.4509% (0.14  10.0   3.57  36.79) =  99.208%  kept
          HA    ILE  119 - HN    THR  118   5.21 +/- 0.13   2.242% * 23.5636% (0.17   1.0   5.32  37.05) =   0.787%  kept
          HD3   PRO   58 - HN    PHE   60   4.13 +/- 0.19   9.278% *  0.0313% (0.06   1.0   0.02   0.02) =   0.004%
          HA    ILE  119 - HN    PHE   60   8.66 +/- 0.34   0.108% *  0.1603% (0.30   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.52 +/- 0.68   0.021% *  0.1366% (0.26   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  11.75 +/- 1.31   0.030% *  0.0443% (0.08   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  13.37 +/- 1.45   0.009% *  0.0802% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.27 +/- 0.95   0.025% *  0.0173% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.34 +/- 0.81   0.002% *  0.1493% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  14.58 +/- 0.74   0.005% *  0.0671% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  17.96 +/- 0.97   0.001% *  0.1157% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  19.72 +/- 0.78   0.001% *  0.0639% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  22.53 +/- 1.67   0.000% *  0.0825% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.24 +/- 0.76   0.001% *  0.0371% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.01, residual support = 20.5:
      O   HA    PHE   59 - HN    PHE   60   3.60 +/- 0.04  85.496% * 99.4803% (0.99  10.0   4.01  20.55) =  99.996%  kept
          HA    ILE   56 - HN    PHE   60   5.43 +/- 0.86  11.470% *  0.0154% (0.15   1.0   0.02   4.01) =   0.002%
          HA    ASP- 113 - HN    THR  118   6.70 +/- 0.44   2.198% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   8.59 +/- 1.10   0.608% *  0.0802% (0.80   1.0   0.02  10.92) =   0.001%
          HA    ASP- 113 - HN    PHE   60  12.71 +/- 1.07   0.059% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  10.89 +/- 0.97   0.125% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  18.80 +/- 1.55   0.005% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.87 +/- 2.58   0.010% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  20.14 +/- 1.40   0.003% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  19.85 +/- 0.85   0.003% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.93 +/- 1.65   0.004% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  16.71 +/- 1.32   0.010% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  18.11 +/- 1.00   0.005% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  23.80 +/- 1.32   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.97 +/- 2.17   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  26.76 +/- 0.99   0.001% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  29.57 +/- 2.08   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  23.97 +/- 1.42   0.001% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.57 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.909, support = 4.8, residual support = 66.7:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  40.320% * 94.1653% (0.96  10.0   4.94  72.03) =  92.011%  kept
          QB    SER  117 - HN    THR  118   2.63 +/- 0.24  59.442% *  5.5456% (0.36   1.0   3.15   5.16) =   7.989%  kept
          HA    LYS+ 121 - HN    THR  118   6.85 +/- 0.33   0.194% *  0.0138% (0.14   1.0   0.02   8.28) =   0.000%
          HA    PHE   60 - HN    THR  118  10.52 +/- 0.86   0.018% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.79 +/- 0.46   0.008% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.38 +/- 0.99   0.004% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  12.16 +/- 1.08   0.007% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.50 +/- 0.79   0.004% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  16.90 +/- 1.20   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.80 +/- 0.42   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.67 +/- 1.70   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  24.74 +/- 1.17   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  24.81 +/- 2.24   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.01 +/- 1.08   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  28.48 +/- 2.08   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (2.26, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.443, support = 3.03, residual support = 14.7:
          QG    GLU-  14 - HN    GLU-  15   3.31 +/- 0.64  41.511% * 16.3585% (0.36   2.40   1.37) =  36.817%  kept
          QG    GLU-  15 - HN    GLU-  15   3.24 +/- 0.66  48.524% * 13.6210% (0.32   2.30  11.38) =  35.834%  kept
          HG12  ILE  119 - HN    THR  118   4.30 +/- 0.42   7.768% * 64.9049% (0.72   4.83  37.05) =  27.336%  kept
          HG12  ILE  119 - HN    PHE   60   6.96 +/- 0.43   0.360% *  0.3332% (0.89   0.02   0.02) =   0.007%
          HB2   ASP- 105 - HN    THR  118   6.21 +/- 2.82   1.571% *  0.0405% (0.11   0.02   4.84) =   0.003%
          HB2   ASP-  44 - HN    PHE   60   8.75 +/- 1.01   0.112% *  0.3332% (0.89   0.02   0.47) =   0.002%
          HB3   PHE   72 - HN    PHE   60  10.12 +/- 0.98   0.047% *  0.3586% (0.96   0.02   8.18) =   0.001%
          HB3   PHE   72 - HN    GLU-  15  10.61 +/- 0.83   0.029% *  0.1426% (0.38   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  12.58 +/- 1.87   0.014% *  0.1527% (0.41   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  14.39 +/- 1.07   0.005% *  0.2685% (0.72   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  10.99 +/- 0.72   0.026% *  0.0504% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  16.26 +/- 1.20   0.002% *  0.2975% (0.79   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  16.22 +/- 0.92   0.002% *  0.2890% (0.77   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  16.75 +/- 1.22   0.002% *  0.2968% (0.79   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  17.11 +/- 1.11   0.002% *  0.3682% (0.98   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  15.86 +/- 2.25   0.004% *  0.1231% (0.33   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  13.06 +/- 1.35   0.009% *  0.0503% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  15.61 +/- 0.87   0.003% *  0.1325% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  18.42 +/- 1.33   0.001% *  0.3430% (0.91   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  15.43 +/- 1.40   0.004% *  0.0777% (0.21   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  20.72 +/- 1.32   0.001% *  0.2398% (0.64   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  22.89 +/- 0.78   0.000% *  0.1955% (0.52   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  21.57 +/- 1.54   0.000% *  0.1325% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  24.33 +/- 1.44   0.000% *  0.2764% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.33 +/- 1.14   0.000% *  0.1575% (0.42   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  27.16 +/- 0.82   0.000% *  0.1465% (0.39   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  26.90 +/- 1.46   0.000% *  0.1267% (0.34   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  25.02 +/- 1.57   0.000% *  0.0607% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.46 +/- 1.33   0.000% *  0.0200% (0.05   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  31.22 +/- 2.16   0.000% *  0.1021% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.0883, support = 2.01, residual support = 10.8:
      O   QB    GLU-  15 - HN    GLU-  15   3.20 +/- 0.19  81.104% * 47.1342% (0.06  10.0   2.08  11.38) =  94.546%  kept
          QB    GLU- 114 - HN    THR  118   4.53 +/- 0.49  12.261% * 14.0798% (0.48   1.0   0.75   0.02) =   4.270%  kept
          HG3   PRO   58 - HN    PHE   60   6.30 +/- 0.20   1.467% * 31.1895% (0.89   1.0   0.91   0.02) =   1.132%  kept
          HB2   LEU  115 - HN    THR  118   5.67 +/- 0.29   2.889% *  0.5370% (0.69   1.0   0.02   0.02) =   0.038%
          HB2   LEU  115 - HN    PHE   60   7.88 +/- 0.86   0.512% *  0.6663% (0.86   1.0   0.02   0.02) =   0.008%
          HB2   GLN   17 - HN    GLU-  15   6.78 +/- 0.42   1.024% *  0.0471% (0.06   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  15   9.64 +/- 0.97   0.143% *  0.2098% (0.27   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    PHE   60  11.03 +/- 0.88   0.061% *  0.4659% (0.60   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    PHE   60  11.29 +/- 1.59   0.066% *  0.3739% (0.48   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    PHE   60   9.95 +/- 1.04   0.120% *  0.1915% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    THR  118  12.51 +/- 1.65   0.033% *  0.5552% (0.72   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  10.60 +/- 1.66   0.110% *  0.1487% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  15  12.54 +/- 2.16   0.058% *  0.2335% (0.30   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15  10.25 +/- 0.36   0.080% *  0.0762% (0.10   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  14.58 +/- 0.93   0.010% *  0.5276% (0.68   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  15.26 +/- 1.22   0.008% *  0.5870% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  15.41 +/- 2.77   0.013% *  0.3013% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  16.70 +/- 2.64   0.007% *  0.4731% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  13.69 +/- 1.24   0.016% *  0.1185% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  16.15 +/- 1.42   0.006% *  0.1185% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.64 +/- 1.14   0.001% *  0.4252% (0.55   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  18.19 +/- 1.53   0.003% *  0.1544% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  23.35 +/- 1.53   0.001% *  0.2740% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  20.65 +/- 1.62   0.001% *  0.0955% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  20.61 +/- 1.42   0.001% *  0.0849% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  25.41 +/- 1.40   0.000% *  0.2650% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  21.77 +/- 1.52   0.001% *  0.0955% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  25.03 +/- 0.84   0.000% *  0.2136% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  25.19 +/- 1.30   0.000% *  0.1853% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  29.66 +/- 0.93   0.000% *  0.1721% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.0922, support = 2.16, residual support = 4.0:
          QG1   ILE   56 - HN    PHE   60   3.75 +/- 0.90  91.597% * 44.9519% (0.09   2.17   4.01) =  99.791%  kept
          HG3   PRO   93 - HN    PHE   60   8.10 +/- 1.00   1.395% *  1.6027% (0.36   0.02   0.02) =   0.054%
          QD    LYS+ 106 - HN    THR  118   8.30 +/- 1.74   2.047% *  0.9899% (0.22   0.02   2.30) =   0.049%
          HB2   LEU  123 - HN    THR  118   8.91 +/- 0.61   1.104% *  0.9489% (0.21   0.02   0.02) =   0.025%
          HD2   LYS+ 111 - HN    THR  118  10.11 +/- 1.14   0.601% *  1.1616% (0.26   0.02   0.02) =   0.017%
          HB3   MET   92 - HN    PHE   60  11.22 +/- 1.28   0.319% *  2.0971% (0.47   0.02   0.02) =   0.016%
          QG1   ILE   56 - HN    THR  118   8.24 +/- 0.88   2.041% *  0.2345% (0.05   0.02   0.02) =   0.012%
          HB2   LEU   73 - HN    GLU-  15  13.86 +/- 0.86   0.074% *  4.3365% (0.97   0.02   0.02) =   0.008%
          HG3   PRO   93 - HN    THR  118  11.88 +/- 2.54   0.278% *  0.9057% (0.20   0.02   0.02) =   0.006%
          HB2   LEU  123 - HN    PHE   60  13.82 +/- 1.05   0.086% *  1.6793% (0.37   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HN    PHE   60  13.72 +/- 1.23   0.081% *  1.7517% (0.39   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    PHE   60  14.29 +/- 0.85   0.067% *  2.0239% (0.45   0.02   0.18) =   0.003%
          HD2   LYS+ 111 - HN    PHE   60  14.50 +/- 1.21   0.053% *  2.0556% (0.46   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    GLU-  15  17.35 +/- 1.42   0.022% *  3.5981% (0.80   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    THR  118  14.65 +/- 2.42   0.072% *  0.9489% (0.21   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    THR  118  14.93 +/- 1.83   0.044% *  1.1851% (0.26   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  17.68 +/- 1.46   0.022% *  1.6793% (0.37   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  16.96 +/- 1.49   0.025% *  1.0004% (0.22   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    THR  118  16.82 +/- 2.46   0.029% *  0.6709% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    GLU-  15  23.35 +/- 2.52   0.004% *  3.5981% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    THR  118  18.97 +/- 0.89   0.010% *  1.1437% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  23.79 +/- 0.58   0.003% *  3.7532% (0.84   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  25.01 +/- 1.03   0.002% *  4.4934% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  23.66 +/- 1.06   0.003% *  2.5440% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  24.44 +/- 1.35   0.002% *  3.4340% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  21.37 +/- 1.56   0.006% *  1.1873% (0.26   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  20.36 +/- 1.21   0.006% *  0.8892% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  31.84 +/- 1.72   0.000% *  4.4045% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  23.22 +/- 1.16   0.003% *  0.4669% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  21.98 +/- 2.14   0.005% *  0.2638% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 2 structures by 0.18 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.66, residual support = 41.7:
          QB    ALA   61 - HN    PHE   60   4.29 +/- 0.10  65.019% * 72.6346% (0.25   2.67  41.86) =  99.506%  kept
          HD3   LYS+ 121 - HN    THR  118   5.63 +/- 1.48  24.709% *  0.5391% (0.24   0.02   8.28) =   0.281%
          HG12  ILE   19 - HN    GLU-  15   8.03 +/- 1.10   2.599% *  1.8497% (0.84   0.02   0.02) =   0.101%
          QB    ALA   12 - HN    GLU-  15   7.38 +/- 0.64   2.902% *  0.8311% (0.38   0.02   0.02) =   0.051%
          QB    ALA  110 - HN    PHE   60   8.96 +/- 2.38   1.685% *  0.7899% (0.36   0.02   0.02) =   0.028%
          HB3   LEU   67 - HN    GLU-  15  10.46 +/- 1.47   0.537% *  0.8311% (0.38   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    THR  118   9.77 +/- 0.82   0.647% *  0.4463% (0.20   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    PHE   60   9.37 +/- 0.94   0.739% *  0.2301% (0.10   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    PHE   60  12.34 +/- 0.60   0.122% *  0.9269% (0.42   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    GLU-  15  13.50 +/- 1.36   0.084% *  1.1651% (0.53   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    GLU-  15  14.49 +/- 1.05   0.048% *  1.9860% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    PHE   60  11.83 +/- 1.13   0.172% *  0.3879% (0.18   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  14.71 +/- 0.92   0.042% *  0.9541% (0.43   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.26 +/- 0.68   0.128% *  0.3073% (0.14   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  11.01 +/- 1.47   0.285% *  0.1300% (0.06   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  15.07 +/- 1.54   0.042% *  0.8633% (0.39   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  14.40 +/- 1.22   0.056% *  0.4930% (0.22   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLU-  15  17.66 +/- 0.92   0.014% *  1.4326% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    THR  118  14.46 +/- 2.02   0.052% *  0.3778% (0.17   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    PHE   60  16.18 +/- 1.49   0.025% *  0.6686% (0.30   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  18.96 +/- 1.50   0.011% *  1.0244% (0.46   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  18.57 +/- 1.08   0.011% *  0.7505% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  15.66 +/- 2.43   0.037% *  0.2192% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  22.69 +/- 1.13   0.003% *  2.1949% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  21.43 +/- 0.70   0.004% *  1.6081% (0.73   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  23.53 +/- 1.55   0.003% *  1.6924% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.73 +/- 1.07   0.008% *  0.5238% (0.24   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  25.79 +/- 2.38   0.002% *  2.0442% (0.92   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  21.05 +/- 2.02   0.005% *  0.4878% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  22.94 +/- 1.36   0.003% *  0.5789% (0.26   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  22.23 +/- 1.38   0.004% *  0.3879% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  22.95 +/- 1.02   0.003% *  0.4241% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  26.84 +/- 2.08   0.001% *  0.2192% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.72, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   1.99 +/- 0.07  99.100% * 99.2769% (0.89  10.0   3.72  25.53) = 100.000%  kept
          QG2   THR   39 - HN    ALA   34   5.67 +/- 1.02   0.529% *  0.0308% (0.28   1.0   0.02   9.03) =   0.000%
          QG2   THR   23 - HN    LEU   80   6.43 +/- 1.08   0.137% *  0.0983% (0.89   1.0   0.02   6.67) =   0.000%
          QG2   THR   77 - HN    LEU   80   5.70 +/- 0.63   0.218% *  0.0221% (0.20   1.0   0.02   0.57) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   9.05 +/- 0.34   0.011% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.01 +/- 0.79   0.001% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.82 +/- 2.13   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.36 +/- 0.63   0.002% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.49 +/- 0.40   0.000% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.33 +/- 1.95   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.93 +/- 0.59   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.48 +/- 0.79   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  20.96 +/- 0.49   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.35 +/- 0.77   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.564, support = 3.53, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  96.164% * 82.6530% (0.56  10.0   3.52  25.53) =  99.364%  kept
          HA    LYS+  81 - HN    LEU   80   4.92 +/- 0.22   3.182% * 15.9703% (0.47   1.0   4.64  31.06) =   0.635%  kept
          HA    GLU-  36 - HN    ALA   34   6.87 +/- 0.05   0.409% *  0.0600% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.91 +/- 0.18   0.177% *  0.1116% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.89 +/- 2.08   0.048% *  0.0548% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.02 +/- 0.60   0.015% *  0.0999% (0.68   1.0   0.02   2.26) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.49 +/- 1.36   0.001% *  0.1282% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  23.40 +/- 4.03   0.000% *  0.1348% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.20 +/- 1.10   0.000% *  0.0950% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.41 +/- 0.54   0.001% *  0.0740% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.43 +/- 1.41   0.000% *  0.1060% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.36 +/- 0.61   0.000% *  0.0768% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.71 +/- 2.46   0.001% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.65 +/- 1.88   0.000% *  0.1431% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.51 +/- 0.56   0.000% *  0.0538% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.20 +/- 1.15   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.29 +/- 1.05   0.000% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.70 +/- 1.66   0.000% *  0.1207% (0.82   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.976, support = 6.79, residual support = 42.4:
      O   HA    LYS+  33 - HN    ALA   34   3.61 +/- 0.02  75.313% * 91.2691% (0.99  10.0   6.83  43.26) =  98.021%  kept
          HA    GLN   32 - HN    ALA   34   4.58 +/- 0.15  18.230% *  7.5958% (0.34   1.0   4.84   0.02) =   1.975%  kept
          HA    GLU-  29 - HN    ALA   34   7.13 +/- 0.32   1.329% *  0.0913% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    LEU   80   7.75 +/- 0.76   0.926% *  0.0780% (0.85   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    ALA   34   6.31 +/- 0.70   3.431% *  0.0161% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   8.67 +/- 0.27   0.402% *  0.0737% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.25 +/- 1.21   0.206% *  0.0500% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.00 +/- 0.88   0.064% *  0.0903% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.69 +/- 0.44   0.041% *  0.0310% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.21 +/- 0.57   0.014% *  0.0817% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.09 +/- 0.67   0.010% *  0.0808% (0.88   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  14.71 +/- 0.93   0.018% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.36 +/- 0.65   0.002% *  0.0817% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  21.53 +/- 1.13   0.002% *  0.0871% (0.94   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.32 +/- 0.36   0.002% *  0.0660% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.60 +/- 0.54   0.004% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.38 +/- 1.28   0.001% *  0.0737% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  24.75 +/- 1.83   0.001% *  0.0660% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  21.67 +/- 0.50   0.002% *  0.0346% (0.37   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  24.64 +/- 1.21   0.001% *  0.0559% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.01 +/- 0.85   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  26.63 +/- 0.65   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.76, support = 5.61, residual support = 42.8:
          HG3   LYS+  33 - HN    ALA   34   3.41 +/- 0.25  90.952% * 83.3621% (0.76   5.66  43.26) =  98.970%  kept
          QB    ALA   84 - HN    LEU   80   5.28 +/- 0.38   7.600% * 10.3387% (0.54   0.99   0.02) =   1.026%  kept
          HB3   LEU   73 - HN    ALA   34   9.02 +/- 0.59   0.305% *  0.3458% (0.89   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34   9.10 +/- 0.27   0.270% *  0.3221% (0.83   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   80  10.92 +/- 0.58   0.096% *  0.3097% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   34  10.53 +/- 1.20   0.149% *  0.1877% (0.49   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   34   8.66 +/- 0.66   0.395% *  0.0675% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  13.40 +/- 1.75   0.036% *  0.2234% (0.58   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  13.22 +/- 2.25   0.047% *  0.1447% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  15.15 +/- 1.85   0.016% *  0.3559% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  11.85 +/- 0.75   0.059% *  0.0861% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  16.55 +/- 0.56   0.008% *  0.2885% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.62 +/- 0.56   0.005% *  0.3847% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  16.59 +/- 0.55   0.007% *  0.2339% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  15.04 +/- 0.39   0.013% *  0.0961% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  17.08 +/- 1.02   0.006% *  0.1681% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  19.32 +/- 0.72   0.003% *  0.3446% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  19.52 +/- 1.48   0.003% *  0.2639% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  20.37 +/- 0.93   0.002% *  0.3221% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  16.22 +/- 0.66   0.009% *  0.0605% (0.16   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.15 +/- 1.15   0.006% *  0.0675% (0.17   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  20.38 +/- 3.31   0.003% *  0.1447% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  21.44 +/- 0.77   0.002% *  0.2494% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  23.34 +/- 2.10   0.001% *  0.2885% (0.75   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  24.98 +/- 1.95   0.001% *  0.3333% (0.86   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  24.48 +/- 0.94   0.001% *  0.3188% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  19.48 +/- 1.06   0.003% *  0.0605% (0.16   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  23.12 +/- 2.22   0.001% *  0.1296% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  28.82 +/- 2.25   0.000% *  0.3721% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.21 +/- 1.63   0.000% *  0.1296% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.726, support = 5.9, residual support = 43.0:
          QB    LYS+  33 - HN    ALA   34   2.89 +/- 0.21  96.260% * 53.1303% (0.72   5.93  43.26) =  97.939%  kept
          QB    LYS+  81 - HN    LEU   80   5.49 +/- 0.30   2.492% * 43.0929% (0.78   4.49  31.06) =   2.057%  kept
          HB3   GLN   30 - HN    ALA   34   6.26 +/- 0.31   1.037% *  0.1696% (0.69   0.02   0.34) =   0.003%
          HB3   LYS+  38 - HN    ALA   34   9.08 +/- 0.24   0.106% *  0.2141% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  11.34 +/- 1.05   0.036% *  0.1163% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.75 +/- 1.42   0.021% *  0.1771% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.33 +/- 0.61   0.017% *  0.1519% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.31 +/- 0.72   0.005% *  0.1983% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.64 +/- 0.69   0.004% *  0.2214% (0.89   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.74 +/- 0.67   0.004% *  0.1299% (0.52   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  15.82 +/- 0.98   0.004% *  0.1202% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.64 +/- 0.78   0.003% *  0.1606% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.41 +/- 0.98   0.002% *  0.1497% (0.61   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.04 +/- 1.65   0.001% *  0.2134% (0.86   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.89 +/- 1.94   0.002% *  0.1252% (0.51   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.69 +/- 0.56   0.001% *  0.2141% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.43 +/- 0.76   0.001% *  0.1163% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  21.59 +/- 0.73   0.001% *  0.1341% (0.54   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.35 +/- 1.22   0.000% *  0.2382% (0.96   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  24.99 +/- 1.03   0.000% *  0.1977% (0.80   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  23.21 +/- 0.76   0.000% *  0.1299% (0.52   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.32 +/- 0.47   0.000% *  0.1918% (0.78   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.55 +/- 1.25   0.000% *  0.0754% (0.30   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  26.54 +/- 1.46   0.000% *  0.1076% (0.44   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.09 +/- 2.47   0.000% *  0.1398% (0.56   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.44 +/- 0.80   0.000% *  0.0842% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.499, support = 7.41, residual support = 81.7:
      O   HA    LEU   80 - HN    LEU   80   2.83 +/- 0.14  94.868% * 72.3642% (0.50  10.0   7.45  82.34) =  99.177%  kept
          HA    ASP-  78 - HN    LEU   80   5.71 +/- 0.54   1.859% * 21.6596% (0.94   1.0   3.16   2.86) =   0.582%  kept
          HA    THR   23 - HN    LEU   80   5.36 +/- 1.00   3.004% *  5.5626% (0.85   1.0   0.90   6.67) =   0.241%
          HB    THR   23 - HN    LEU   80   7.84 +/- 1.00   0.260% *  0.0516% (0.36   1.0   0.02   6.67) =   0.000%
          HA    THR   23 - HN    ALA   34  16.03 +/- 0.29   0.003% *  0.1020% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  15.53 +/- 0.85   0.004% *  0.0427% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  18.47 +/- 0.79   0.001% *  0.0598% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.54 +/- 0.57   0.000% *  0.1135% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.23 +/- 0.50   0.001% *  0.0199% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  21.74 +/- 0.47   0.000% *  0.0241% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.757, support = 5.48, residual support = 48.6:
      O   HA    GLU-  79 - HN    LEU   80   3.58 +/- 0.15  95.032% * 98.8868% (0.76  10.0   5.49  48.59) =  99.997%  kept
          HB    THR   77 - HN    LEU   80   6.55 +/- 0.72   3.320% *  0.0381% (0.29   1.0   0.02   0.57) =   0.001%
          HA    THR   39 - HN    ALA   34   7.45 +/- 0.44   1.315% *  0.0886% (0.68   1.0   0.02   9.03) =   0.001%
          HA    SER   85 - HN    LEU   80  10.73 +/- 0.32   0.138% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  11.55 +/- 0.63   0.094% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.47 +/- 0.51   0.036% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  17.01 +/- 0.99   0.009% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  17.90 +/- 1.56   0.007% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  14.52 +/- 0.39   0.022% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  17.56 +/- 2.63   0.013% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.19 +/- 0.79   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  19.83 +/- 0.46   0.003% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  22.59 +/- 1.11   0.002% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.56 +/- 0.53   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  21.40 +/- 0.56   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.01 +/- 0.61   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.47 +/- 1.03   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  24.98 +/- 1.45   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  26.80 +/- 1.43   0.001% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  30.83 +/- 3.35   0.000% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.789, support = 5.48, residual support = 48.1:
          HB3   GLU-  79 - HN    LEU   80   2.57 +/- 0.65  96.226% * 76.6544% (0.79   5.52  48.59) =  99.063%  kept
          QB    GLU-  36 - HN    ALA   34   5.09 +/- 0.23   3.318% * 20.9986% (0.70   1.70   0.02) =   0.936%  kept
          HB3   GLU-  29 - HN    ALA   34   8.20 +/- 0.61   0.213% *  0.2744% (0.78   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ALA   34   9.95 +/- 0.75   0.075% *  0.2102% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   8.74 +/- 0.22   0.134% *  0.0849% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.22 +/- 1.18   0.021% *  0.3070% (0.87   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.75 +/- 1.05   0.005% *  0.3319% (0.94   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.58 +/- 0.51   0.005% *  0.2542% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.92 +/- 1.15   0.001% *  0.2297% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.52 +/- 0.59   0.001% *  0.2983% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  24.72 +/- 0.83   0.000% *  0.2539% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  26.56 +/- 0.46   0.000% *  0.1027% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.04, residual support = 18.7:
        T HN    ASN   35 - HN    ALA   34   2.70 +/- 0.03  99.988% * 98.7794% (0.80 10.00   4.04  18.75) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.09 +/- 0.51   0.001% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  16.28 +/- 2.44   0.004% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  13.84 +/- 0.40   0.006% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.18 +/- 0.48   0.002% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  29.40 +/- 2.65   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  22.48 +/- 1.09   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.81 +/- 0.82   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 5.14, residual support = 31.1:
          HN    LYS+  81 - HN    LEU   80   3.62 +/- 0.22  99.004% * 98.3502% (0.89   5.14  31.06) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   8.94 +/- 0.99   0.531% *  0.0953% (0.22   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    LEU   80   9.60 +/- 0.99   0.397% *  0.0853% (0.20   0.02  11.97) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.15 +/- 1.05   0.033% *  0.3070% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.73 +/- 1.21   0.016% *  0.3427% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.80 +/- 0.66   0.003% *  0.4270% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.54 +/- 0.79   0.008% *  0.1321% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.54 +/- 0.83   0.004% *  0.0671% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.27 +/- 1.39   0.002% *  0.1183% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  25.65 +/- 0.76   0.001% *  0.0750% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.684, support = 1.08, residual support = 4.3:
          HB    THR   39 - HN    ALA   34   5.32 +/- 0.86  30.338% * 41.0340% (0.61   1.50   9.03) =  45.907%  kept
          HA    GLN   30 - HN    ALA   34   4.83 +/- 0.37  43.385% * 28.0765% (0.80   0.78   0.34) =  44.919%  kept
          HB3   SER   37 - HN    ALA   34   5.39 +/- 0.49  22.777% *  8.9811% (0.45   0.44   0.02) =   7.544%  kept
          HB3   SER   82 - HN    LEU   80   7.77 +/- 0.49   2.867% * 15.3147% (0.82   0.41   0.02) =   1.619%  kept
          QB    SER   13 - HN    ALA   34  12.95 +/- 2.14   0.182% *  0.5835% (0.65   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   80  11.37 +/- 0.54   0.248% *  0.3622% (0.40   0.02   0.02) =   0.003%
          HA    GLN   30 - HN    LEU   80  14.96 +/- 0.60   0.050% *  0.6469% (0.72   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  15.80 +/- 1.03   0.037% *  0.7008% (0.78   0.02   0.02) =   0.001%
          HB2   CYSS  53 - HN    LEU   80  14.06 +/- 1.08   0.073% *  0.3032% (0.34   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ALA   34  20.59 +/- 1.63   0.008% *  0.8327% (0.92   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  20.26 +/- 0.54   0.008% *  0.4044% (0.45   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  21.58 +/- 1.04   0.005% *  0.4900% (0.54   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  24.27 +/- 1.34   0.003% *  0.5227% (0.58   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  23.21 +/- 0.67   0.003% *  0.3622% (0.40   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HN    ALA   34  24.14 +/- 0.74   0.003% *  0.3385% (0.37   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  21.13 +/- 2.05   0.006% *  0.1392% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  28.16 +/- 0.76   0.001% *  0.7825% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  21.68 +/- 0.92   0.005% *  0.1247% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.744, support = 1.11, residual support = 3.09:
          HA    LEU   31 - HN    ALA   34   3.03 +/- 0.20  82.966% * 80.3861% (0.76   1.14   3.20) =  95.687%  kept
          HA    THR   77 - HN    LEU   80   4.22 +/- 0.74  17.029% * 17.6510% (0.34   0.57   0.57) =   4.312%  kept
          HA    LEU   31 - HN    LEU   80  15.89 +/- 0.60   0.004% *  1.2677% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.88 +/- 0.57   0.001% *  0.6951% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.348, support = 2.62, residual support = 3.92:
          HA    ASP-  78 - HN    LEU   80   5.71 +/- 0.54  26.885% * 79.1787% (0.40   3.16   2.86) =  76.792%  kept
          HA    THR   23 - HN    LEU   80   5.36 +/- 1.00  45.590% *  9.9862% (0.18   0.90   6.67) =  16.424%  kept
          HA    VAL   41 - HN    ALA   34   5.73 +/- 0.31  22.449% *  8.2049% (0.17   0.75   9.44) =   6.645%  kept
          HA    PHE   45 - HN    LEU   80   7.56 +/- 0.70   4.954% *  0.7687% (0.61   0.02   0.02) =   0.137%
          HA    PHE   45 - HN    ALA   34  16.23 +/- 0.49   0.041% *  0.8582% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  16.03 +/- 0.29   0.045% *  0.2472% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  17.11 +/- 0.48   0.031% *  0.1960% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.54 +/- 0.57   0.004% *  0.5601% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.49 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.699, support = 3.49, residual support = 13.9:
          HB2   ASP-  76 - HN    LEU   80   4.05 +/- 0.49  70.125% * 28.7782% (0.75   2.92   3.66) =  66.500%  kept
          QE    LYS+  33 - HN    ALA   34   5.04 +/- 0.52  22.024% * 35.6904% (0.52   5.14  43.26) =  25.902%  kept
          HB2   ASP-  78 - HN    LEU   80   6.07 +/- 0.45   6.749% * 34.1523% (0.88   2.95   2.86) =   7.595%  kept
          HB2   ASN   28 - HN    ALA   34   9.51 +/- 0.27   0.439% *  0.1085% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  11.34 +/- 0.93   0.168% *  0.1916% (0.72   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    LEU   80   9.84 +/- 0.30   0.358% *  0.0320% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    LEU   80  12.57 +/- 0.58   0.091% *  0.0972% (0.37   0.02   2.26) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.19 +/- 0.60   0.006% *  0.2204% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  18.00 +/- 1.55   0.011% *  0.1243% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.33 +/- 0.63   0.017% *  0.0357% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.25 +/- 0.63   0.002% *  0.2586% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.56 +/- 1.31   0.006% *  0.0734% (0.28   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.80 +/- 2.27   0.003% *  0.0657% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  25.66 +/- 0.59   0.001% *  0.1716% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.36, residual support = 48.6:
          HB2   GLU-  79 - HN    LEU   80   2.68 +/- 0.69  99.216% * 94.5231% (0.44   5.36  48.59) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.15 +/- 0.34   0.647% *  0.2758% (0.34   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    LEU   80  10.44 +/- 1.16   0.091% *  0.2470% (0.30   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU   80  12.31 +/- 0.98   0.023% *  0.7099% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.11 +/- 0.48   0.007% *  0.7926% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  14.84 +/- 1.04   0.008% *  0.6282% (0.78   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.99 +/- 0.65   0.002% *  0.3936% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  19.65 +/- 1.26   0.002% *  0.2977% (0.37   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  21.32 +/- 1.43   0.001% *  0.2758% (0.34   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.09 +/- 1.30   0.001% *  0.3324% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  26.16 +/- 0.85   0.000% *  0.7014% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.47 +/- 1.06   0.000% *  0.2718% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.01 +/- 0.90   0.000% *  0.2470% (0.30   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.71 +/- 0.93   0.000% *  0.3035% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.775, support = 5.48, residual support = 48.1:
          HB3   GLU-  79 - HN    LEU   80   2.57 +/- 0.65  91.981% * 74.5252% (0.78   5.52  48.59) =  98.991%  kept
          QB    GLU-  36 - HN    ALA   34   5.09 +/- 0.23   2.933% * 23.7014% (0.80   1.70   0.02) =   1.004%  kept
          QB    GLN   32 - HN    ALA   34   4.95 +/- 0.11   3.834% *  0.0609% (0.17   0.02   0.02) =   0.003%
          HB    VAL   24 - HN    LEU   80   6.35 +/- 0.96   0.887% *  0.0693% (0.20   0.02  10.33) =   0.001%
          HB3   GLU-  29 - HN    ALA   34   8.20 +/- 0.61   0.190% *  0.1692% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    ALA   34   9.84 +/- 1.05   0.072% *  0.1692% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.95 +/- 0.75   0.067% *  0.0609% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.22 +/- 1.18   0.019% *  0.0961% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.75 +/- 1.05   0.004% *  0.1516% (0.44   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  15.25 +/- 0.29   0.004% *  0.0774% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.92 +/- 1.15   0.001% *  0.3016% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.58 +/- 0.51   0.005% *  0.0545% (0.16   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  15.84 +/- 0.60   0.003% *  0.0545% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.52 +/- 0.59   0.001% *  0.2493% (0.72   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  24.70 +/- 0.63   0.000% *  0.1516% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  24.72 +/- 0.83   0.000% *  0.1073% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.683, support = 0.266, residual support = 0.531:
          QG1   VAL   75 - HN    LEU   80   3.67 +/- 0.60  99.917% * 78.3337% (0.68   0.27   0.53) =  99.993%  kept
          QG1   VAL   75 - HN    ALA   34  13.03 +/- 0.53   0.067% *  6.5859% (0.76   0.02   0.02) =   0.006%
          QD1   LEU  115 - HN    LEU   80  17.83 +/- 1.54   0.011% *  7.1252% (0.82   0.02   0.02) =   0.001%
          QD1   LEU  115 - HN    ALA   34  20.16 +/- 1.27   0.005% *  7.9551% (0.92   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.03 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.278, support = 7.1, residual support = 81.4:
          QD1   LEU   80 - HN    LEU   80   2.48 +/- 0.67  68.981% * 26.7753% (0.18   7.41  82.34) =  54.288%  kept
          QD2   LEU   80 - HN    LEU   80   3.19 +/- 0.62  26.871% * 56.2298% (0.40   6.87  82.34) =  44.411%  kept
          QG2   VAL   41 - HN    ALA   34   4.65 +/- 0.79   3.162% * 13.9019% (0.34   2.00   9.44) =   1.292%  kept
          QD1   LEU   73 - HN    ALA   34   5.47 +/- 0.67   0.845% *  0.3404% (0.83   0.02   0.02) =   0.008%
          QD2   LEU   98 - HN    ALA   34   7.90 +/- 0.80   0.101% *  0.0807% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   80  10.49 +/- 0.74   0.012% *  0.3049% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  12.75 +/- 1.26   0.004% *  0.3655% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  13.58 +/- 0.98   0.003% *  0.3404% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.38 +/- 0.69   0.004% *  0.1827% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.57 +/- 0.78   0.007% *  0.1016% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  14.95 +/- 0.90   0.001% *  0.3049% (0.75   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  13.02 +/- 0.56   0.003% *  0.1245% (0.30   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  16.41 +/- 1.15   0.001% *  0.3274% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  13.15 +/- 0.75   0.003% *  0.0722% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  13.64 +/- 0.78   0.003% *  0.0807% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.06 +/- 1.85   0.000% *  0.1777% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.15 +/- 1.60   0.000% *  0.1984% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.72 +/- 0.76   0.000% *  0.0910% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (0.82, 8.08, 121.56 ppm):
    6 chemical-shift based assignments, quality = 0.63, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  20.22 +/- 2.28  15.836% * 31.5414% (1.00   0.02   0.02) =  38.304%  kept
          HB3   LEU  104 - HN    ALA   34  15.84 +/- 0.52  58.291% *  7.0378% (0.22   0.02   0.02) =  31.460%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.38 +/- 3.58  12.044% * 14.1725% (0.45   0.02   0.02) =  13.090%  kept
          QD2   LEU  123 - HN    LEU   80  24.55 +/- 2.00   5.370% * 28.2508% (0.89   0.02   0.02) =  11.633%  kept
          HG3   LYS+ 121 - HN    LEU   80  26.31 +/- 1.27   2.904% * 12.6939% (0.40   0.02   0.02) =   2.826%  kept
          HB3   LEU  104 - HN    LEU   80  23.46 +/- 0.48   5.556% *  6.3036% (0.20   0.02   0.02) =   2.686%  kept
    Distance limit 4.34 A violated in 20 structures by 10.12 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.745, support = 5.89, residual support = 43.0:
          QB    LYS+  33 - HN    ALA   34   2.89 +/- 0.21  96.260% * 49.1757% (0.74   5.93  43.26) =  97.555%  kept
          QB    LYS+  81 - HN    LEU   80   5.49 +/- 0.30   2.492% * 47.5568% (0.94   4.49  31.06) =   2.443%  kept
          HB3   GLN   30 - HN    ALA   34   6.26 +/- 0.31   1.037% *  0.0721% (0.32   0.02   0.34) =   0.002%
          HB3   LYS+  38 - HN    ALA   34   9.08 +/- 0.24   0.106% *  0.1064% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.75 +/- 1.42   0.021% *  0.2079% (0.93   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  11.34 +/- 1.05   0.036% *  0.0590% (0.26   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.33 +/- 0.61   0.017% *  0.0872% (0.39   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.31 +/- 0.72   0.005% *  0.2121% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.64 +/- 0.69   0.004% *  0.1754% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.74 +/- 0.67   0.004% *  0.1404% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.64 +/- 0.78   0.003% *  0.2007% (0.89   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  15.82 +/- 0.98   0.004% *  0.1340% (0.60   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.41 +/- 0.98   0.002% *  0.1521% (0.68   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.89 +/- 1.94   0.002% *  0.1772% (0.79   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.04 +/- 1.65   0.001% *  0.1621% (0.72   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.43 +/- 0.76   0.001% *  0.1699% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.69 +/- 0.56   0.001% *  0.1750% (0.78   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  21.59 +/- 0.73   0.001% *  0.1840% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  24.99 +/- 1.03   0.000% *  0.1719% (0.77   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.35 +/- 1.22   0.000% *  0.1340% (0.60   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  26.54 +/- 1.46   0.000% *  0.1621% (0.72   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.32 +/- 0.47   0.000% *  0.1287% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.09 +/- 2.47   0.000% *  0.1465% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  23.21 +/- 0.76   0.000% *  0.0488% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.55 +/- 1.25   0.000% *  0.0327% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.44 +/- 0.80   0.000% *  0.0271% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.241, support = 3.72, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   1.99 +/- 0.07  99.619% * 98.3406% (0.24  10.0   3.72  25.53) =  99.999%  kept
          QG2   THR   77 - HN    LEU   80   5.70 +/- 0.63   0.219% *  0.3086% (0.76   1.0   0.02   0.57) =   0.001%
          QG2   THR   23 - HN    LEU   80   6.43 +/- 1.08   0.138% *  0.2493% (0.61   1.0   0.02   6.67) =   0.000%
          HG2   LYS+  38 - HN    ALA   34   8.34 +/- 0.26   0.019% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  12.18 +/- 0.30   0.002% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.01 +/- 0.79   0.001% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.93 +/- 0.59   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.82 +/- 2.13   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.49 +/- 0.40   0.000% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  18.01 +/- 0.55   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.33 +/- 1.95   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  25.86 +/- 0.60   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.505, support = 6.34, residual support = 82.3:
      O   HB2   LEU   80 - HN    LEU   80   2.99 +/- 0.63  50.237% * 49.4067% (0.26  10.0   5.93  82.34) =  51.093%  kept
          HG    LEU   80 - HN    LEU   80   3.16 +/- 1.07  49.390% * 48.1032% (0.76   1.0   6.76  82.34) =  48.906%  kept
          HG    LEU   73 - HN    ALA   34   7.17 +/- 0.54   0.219% *  0.1227% (0.65   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ALA   34   8.96 +/- 0.82   0.059% *  0.1009% (0.54   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34   9.95 +/- 0.96   0.032% *  0.0501% (0.27   1.0   0.02   0.11) =   0.000%
          HG    LEU   73 - HN    LEU   80  12.63 +/- 0.75   0.005% *  0.1484% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   9.46 +/- 0.78   0.027% *  0.0274% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  13.45 +/- 0.89   0.005% *  0.1466% (0.78   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  14.77 +/- 1.64   0.004% *  0.1067% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  15.72 +/- 1.00   0.002% *  0.1176% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.02 +/- 1.73   0.002% *  0.1358% (0.72   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  13.48 +/- 1.46   0.006% *  0.0366% (0.20   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  15.55 +/- 0.73   0.002% *  0.1221% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  17.12 +/- 1.45   0.001% *  0.1681% (0.89   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  17.25 +/- 1.41   0.001% *  0.1418% (0.75   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  17.55 +/- 0.77   0.001% *  0.1390% (0.74   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.24 +/- 0.67   0.004% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  16.67 +/- 0.69   0.001% *  0.0409% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.01 +/- 1.58   0.000% *  0.1773% (0.94   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.09 +/- 1.01   0.000% *  0.1123% (0.60   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  22.96 +/- 1.58   0.000% *  0.1715% (0.91   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  24.32 +/- 1.06   0.000% *  0.1290% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  20.88 +/- 1.07   0.000% *  0.0606% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  20.56 +/- 1.24   0.000% *  0.0606% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.08 +/- 1.17   0.000% *  0.0501% (0.27   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  22.24 +/- 1.68   0.000% *  0.0443% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  21.97 +/- 3.26   0.000% *  0.0257% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  25.83 +/- 1.26   0.000% *  0.0311% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.747, support = 0.761, residual support = 8.74:
          QG1   VAL   41 - HN    ALA   34   4.44 +/- 0.56  60.304% * 49.0023% (0.78   0.75   9.44) =  89.169%  kept
          HG    LEU   31 - HN    ALA   34   6.22 +/- 0.33   8.787% * 38.4239% (0.51   0.91   3.20) =  10.188%  kept
          QD2   LEU   73 - HN    ALA   34   5.68 +/- 0.92  17.587% *  0.6375% (0.38   0.02   0.02) =   0.338%
          QG2   THR   46 - HN    LEU   80   7.13 +/- 0.66   4.586% *  0.9607% (0.57   0.02   0.02) =   0.133%
          QG1   VAL   43 - HN    ALA   34   8.01 +/- 0.46   1.909% *  1.2089% (0.72   0.02   0.02) =   0.070%
          QD1   ILE   19 - HN    ALA   34   6.97 +/- 0.91   5.271% *  0.3641% (0.22   0.02   0.02) =   0.058%
          QG1   VAL   43 - HN    LEU   80  10.65 +/- 0.47   0.370% *  1.4622% (0.87   0.02   0.02) =   0.016%
          QD2   LEU   73 - HN    LEU   80  11.25 +/- 0.74   0.375% *  0.7710% (0.46   0.02   0.02) =   0.009%
          QG2   VAL   18 - HN    LEU   80  12.29 +/- 1.22   0.166% *  1.1502% (0.69   0.02   0.02) =   0.006%
          QG2   VAL   18 - HN    ALA   34  12.03 +/- 0.76   0.175% *  0.9510% (0.57   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    LEU   80  13.53 +/- 0.96   0.093% *  1.0247% (0.61   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LEU   80  15.16 +/- 0.53   0.040% *  1.5804% (0.94   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   80  13.23 +/- 0.82   0.098% *  0.4404% (0.26   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   34  12.21 +/- 0.97   0.151% *  0.2294% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  15.70 +/- 0.70   0.033% *  0.7943% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  16.02 +/- 1.37   0.035% *  0.3950% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  19.36 +/- 1.59   0.011% *  0.3266% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  19.90 +/- 0.93   0.008% *  0.2774% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.87, residual support = 82.3:
          QD2   LEU   80 - HN    LEU   80   3.19 +/- 0.62  88.865% * 97.3037% (0.85   6.87  82.34) =  99.978%  kept
          QD1   LEU   73 - HN    ALA   34   5.47 +/- 0.67   5.506% *  0.2559% (0.77   0.02   0.02) =   0.016%
          QG1   VAL   83 - HN    LEU   80   5.44 +/- 0.40   5.303% *  0.0787% (0.24   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    LEU   80  10.49 +/- 0.74   0.109% *  0.3095% (0.93   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.57 +/- 0.78   0.065% *  0.1793% (0.54   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.38 +/- 0.69   0.042% *  0.2342% (0.70   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  13.58 +/- 0.98   0.021% *  0.2559% (0.77   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  12.75 +/- 1.26   0.034% *  0.1171% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  14.95 +/- 0.90   0.013% *  0.3095% (0.93   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  13.33 +/- 1.12   0.026% *  0.0651% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.06 +/- 1.85   0.004% *  0.2915% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  16.41 +/- 1.15   0.007% *  0.1416% (0.42   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.15 +/- 1.60   0.002% *  0.2410% (0.72   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.72 +/- 0.76   0.002% *  0.2169% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.266, residual support = 0.531:
          QG1   VAL   75 - HN    LEU   80   3.67 +/- 0.60  99.917% * 86.9950% (0.46   0.27   0.53) =  99.995%  kept
          QG1   VAL   75 - HN    ALA   34  13.03 +/- 0.53   0.067% *  5.4165% (0.38   0.02   0.02) =   0.004%
          QD1   LEU  115 - HN    LEU   80  17.83 +/- 1.54   0.011% *  4.1540% (0.29   0.02   0.02) =   0.001%
          QD1   LEU  115 - HN    ALA   34  20.16 +/- 1.27   0.005% *  3.4346% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.05 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.624, support = 3.51, residual support = 25.4:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  96.112% * 89.0241% (0.63  10.0   3.52  25.53) =  99.643%  kept
          HA    LYS+  81 - HN    LEU   80   4.92 +/- 0.22   3.181% *  9.6344% (0.29   1.0   4.64  31.06) =   0.357%
          HA    ASN   28 - HN    ALA   34   7.91 +/- 0.18   0.177% *  0.1052% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.87 +/- 0.05   0.409% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.89 +/- 2.08   0.048% *  0.0674% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.02 +/- 0.60   0.015% *  0.1272% (0.89   1.0   0.02   2.26) =   0.000%
          HA    THR   26 - HN    ALA   34  10.26 +/- 0.28   0.037% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  11.79 +/- 0.65   0.017% *  0.0235% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.49 +/- 1.36   0.001% *  0.1123% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.41 +/- 0.54   0.001% *  0.1077% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.20 +/- 1.10   0.000% *  0.1241% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.71 +/- 2.46   0.001% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.43 +/- 1.41   0.000% *  0.1026% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  23.40 +/- 4.03   0.000% *  0.0807% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.36 +/- 0.61   0.000% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  24.20 +/- 1.15   0.000% *  0.0603% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.65 +/- 1.88   0.000% *  0.0929% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.29 +/- 1.05   0.000% *  0.0498% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.51 +/- 0.56   0.000% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.70 +/- 1.66   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.584, support = 1.1, residual support = 3.05:
          HA    LEU   31 - HN    ALA   34   3.03 +/- 0.20  82.966% * 75.3893% (0.60   1.14   3.20) =  94.263%  kept
          HA    THR   77 - HN    LEU   80   4.22 +/- 0.74  17.029% * 22.3534% (0.36   0.57   0.57) =   5.737%  kept
          HA    LEU   31 - HN    LEU   80  15.89 +/- 0.60   0.004% *  1.6055% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.88 +/- 0.57   0.001% *  0.6519% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.614, support = 3.66, residual support = 16.8:
          HB2   ASP-  76 - HN    LEU   80   4.05 +/- 0.49  70.125% * 22.0547% (0.57   2.92   3.66) =  57.658%  kept
          QE    LYS+  33 - HN    ALA   34   5.04 +/- 0.52  22.024% * 40.5187% (0.60   5.14  43.26) =  33.269%  kept
          HB2   ASP-  78 - HN    LEU   80   6.07 +/- 0.45   6.749% * 36.0438% (0.93   2.95   2.86) =   9.069%  kept
          HB2   ASN   28 - HN    ALA   34   9.51 +/- 0.27   0.439% *  0.1334% (0.51   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    LEU   80   9.84 +/- 0.30   0.358% *  0.0694% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  11.34 +/- 0.93   0.168% *  0.1004% (0.38   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  12.57 +/- 0.58   0.091% *  0.1614% (0.61   0.02   2.26) =   0.001%
          QE    LYS+  33 - HN    LEU   80  18.00 +/- 1.55   0.011% *  0.1906% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.33 +/- 0.63   0.017% *  0.0573% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.19 +/- 0.60   0.006% *  0.1251% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  19.56 +/- 1.31   0.006% *  0.1004% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.25 +/- 0.63   0.002% *  0.2021% (0.77   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.80 +/- 2.27   0.003% *  0.1214% (0.46   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  25.66 +/- 0.59   0.001% *  0.1214% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.36, residual support = 48.6:
          HB2   GLU-  79 - HN    LEU   80   2.68 +/- 0.69  99.216% * 95.2833% (0.46   5.36  48.59) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.15 +/- 0.34   0.647% *  0.2059% (0.27   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    LEU   80  10.44 +/- 1.16   0.091% *  0.2490% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU   80  12.31 +/- 0.98   0.023% *  0.7156% (0.93   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  14.84 +/- 1.04   0.008% *  0.6333% (0.82   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.11 +/- 0.48   0.007% *  0.5917% (0.77   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  19.65 +/- 1.26   0.002% *  0.3001% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.99 +/- 0.65   0.002% *  0.2938% (0.38   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  21.32 +/- 1.43   0.001% *  0.2059% (0.27   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.09 +/- 1.30   0.001% *  0.2482% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  26.16 +/- 0.85   0.000% *  0.5236% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.47 +/- 1.06   0.000% *  0.2740% (0.36   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.01 +/- 0.90   0.000% *  0.2490% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.71 +/- 0.93   0.000% *  0.2265% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.773, support = 6.79, residual support = 42.6:
      O   HA    LYS+  33 - HN    ALA   34   3.61 +/- 0.02  75.313% * 92.4646% (0.78  10.0   6.83  43.26) =  98.394%  kept
          HA    GLN   32 - HN    ALA   34   4.58 +/- 0.15  18.230% *  6.2169% (0.22   1.0   4.84   0.02) =   1.601%  kept
          HA    GLU-  29 - HN    ALA   34   7.13 +/- 0.32   1.329% *  0.0892% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    LEU   80   7.75 +/- 0.76   0.926% *  0.1003% (0.85   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    ALA   34   6.31 +/- 0.70   3.431% *  0.0206% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   8.67 +/- 0.27   0.402% *  0.0802% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.25 +/- 1.21   0.206% *  0.0588% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.00 +/- 0.88   0.064% *  0.0875% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.21 +/- 0.57   0.014% *  0.1079% (0.91   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.69 +/- 0.44   0.041% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.09 +/- 0.67   0.010% *  0.1058% (0.89   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  14.71 +/- 0.93   0.018% *  0.0173% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.36 +/- 0.65   0.002% *  0.1118% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.32 +/- 0.36   0.002% *  0.0970% (0.82   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  21.53 +/- 1.13   0.002% *  0.0829% (0.70   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.60 +/- 0.54   0.004% *  0.0311% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  24.75 +/- 1.83   0.001% *  0.0970% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.38 +/- 1.28   0.001% *  0.0802% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  21.67 +/- 0.50   0.002% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  24.64 +/- 1.21   0.001% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.01 +/- 0.85   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  26.63 +/- 0.65   0.000% *  0.0143% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.339, support = 0.0199, residual support = 0.191:
          HN    GLN   30 - HN    ALA   34   6.44 +/- 0.25  75.118% *  3.3143% (0.17  1.00   0.02   0.34) =  53.351%  kept
          HN    GLU-  29 - HN    ALA   34   8.59 +/- 0.26  13.282% * 11.4785% (0.61  1.00   0.02   0.02) =  32.670%  kept
          HN    ASP-  86 - HN    LEU   80   9.39 +/- 0.23   7.943% *  3.7738% (0.20  1.00   0.02   0.02) =   6.424%  kept
          HN    GLU-  29 - HN    LEU   80  12.57 +/- 0.58   1.450% * 10.2810% (0.54  1.00   0.02   0.02) =   3.195%  kept
          HN    VAL   18 - HN    ALA   34  14.42 +/- 0.94   0.658% * 13.7422% (0.72  1.00   0.02   0.02) =   1.939%  kept
        T HN    ASP-  86 - HN    ALA   34  18.73 +/- 0.61   0.127% * 42.1332% (0.22 10.00   0.02   0.02) =   1.147%  kept
          HN    GLN   30 - HN    LEU   80  12.89 +/- 0.56   1.236% *  2.9685% (0.16  1.00   0.02   0.02) =   0.787%  kept
          HN    VAL   18 - HN    LEU   80  17.63 +/- 0.65   0.185% * 12.3085% (0.65  1.00   0.02   0.02) =   0.489%
    Distance limit 3.70 A violated in 20 structures by 2.44 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 0.02, residual support = 0.176:
          HN    GLN   30 - HN    ALA   34   6.44 +/- 0.25  75.118% *  2.6057% (0.11  1.00   0.02   0.34) =  48.663%  kept
          HN    GLU-  29 - HN    ALA   34   8.59 +/- 0.26  13.282% * 10.1298% (0.41  1.00   0.02   0.02) =  33.450%  kept
          HN    ASP-  86 - HN    LEU   80   9.39 +/- 0.23   7.943% *  4.0782% (0.17  1.00   0.02   0.02) =   8.054%  kept
          HN    GLU-  29 - HN    LEU   80  12.57 +/- 0.58   1.450% * 12.2517% (0.50  1.00   0.02   0.02) =   4.417%  kept
          HN    VAL   18 - HN    ALA   34  14.42 +/- 0.94   0.658% * 15.4172% (0.63  1.00   0.02   0.02) =   2.523%  kept
        T HN    ASP-  86 - HN    ALA   34  18.73 +/- 0.61   0.127% * 33.7193% (0.14 10.00   0.02   0.02) =   1.065%  kept
          HN    GLN   30 - HN    LEU   80  12.89 +/- 0.56   1.236% *  3.1515% (0.13  1.00   0.02   0.02) =   0.969%  kept
          HN    VAL   18 - HN    LEU   80  17.63 +/- 0.65   0.185% * 18.6466% (0.76  1.00   0.02   0.02) =   0.859%  kept
    Distance limit 3.67 A violated in 20 structures by 2.46 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.04, residual support = 18.7:
        T HN    ASN   35 - HN    ALA   34   2.70 +/- 0.03  99.988% * 98.3004% (0.54 10.00   4.04  18.75) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.09 +/- 0.51   0.001% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  16.28 +/- 2.44   0.004% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  13.84 +/- 0.40   0.006% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.18 +/- 0.48   0.002% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  22.48 +/- 1.09   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  29.40 +/- 2.65   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.81 +/- 0.82   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.938, support = 5.14, residual support = 31.1:
          HN    LYS+  81 - HN    LEU   80   3.62 +/- 0.22  99.009% * 98.6488% (0.94   5.14  31.06) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   8.94 +/- 0.99   0.531% *  0.0494% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80   9.60 +/- 0.99   0.397% *  0.0597% (0.15   0.02  11.97) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.15 +/- 1.05   0.033% *  0.3471% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.73 +/- 1.21   0.016% *  0.2870% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.54 +/- 0.79   0.008% *  0.1316% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.80 +/- 0.66   0.003% *  0.3172% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.27 +/- 1.39   0.002% *  0.1591% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.626, support = 1.52, residual support = 2.3:
          HG2   LYS+ 111 - HN    GLU- 114   4.72 +/- 0.95  67.611% * 60.5637% (0.73   1.25   2.56) =  82.558%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.50 +/- 0.31  30.169% * 28.6029% (0.15   2.79   1.09) =  17.398%  kept
          HB3   PRO   93 - HN    GLU- 114  11.64 +/- 2.31   1.311% *  1.0167% (0.76   0.02   0.02) =   0.027%
          HB2   LEU   63 - HN    GLU- 114  12.90 +/- 1.71   0.389% *  1.3041% (0.98   0.02   0.02) =   0.010%
          HB3   ASP-  44 - HN    GLU- 114  15.10 +/- 1.38   0.100% *  1.3304% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    GLU- 114  11.94 +/- 0.80   0.296% *  0.2962% (0.22   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    GLU- 114  16.21 +/- 0.83   0.043% *  1.2839% (0.97   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLU- 114  16.76 +/- 0.89   0.042% *  1.0653% (0.80   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    GLU- 114  18.50 +/- 1.31   0.021% *  1.1931% (0.90   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 114  22.85 +/- 1.28   0.006% *  1.2281% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLU- 114  22.27 +/- 1.19   0.007% *  0.5965% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    GLU- 114  25.97 +/- 1.11   0.003% *  1.0653% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLU- 114  29.53 +/- 0.99   0.001% *  0.4538% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    667
      with multiple volume contributions     :    296
      eliminated by violation filter         :     38
 
    Peaks:
      selected                               :   1094
      without assignment                     :     54
      with assignment                        :   1040
      with unique assignment                 :    766
      with multiple assignment               :    274
      with reference assignment              :    129
      with identical reference assignment    :    110
      with compatible reference assignment   :     19
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    911
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  62       2.7
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.575, support = 3.27, residual support = 47.1:
      O T HB2   GLU-  14 - HA    GLU-  14   2.74 +/- 0.19  85.509% * 27.7351% (0.39  10.0 10.00   2.96  48.02) =  69.929%  kept
    * O T HG2   MET   11 - HA    MET   11   3.81 +/- 0.40  14.397% * 70.8328% (1.00  10.0 10.00   4.00  44.93) =  30.070%  kept
        T HB2   GLU-  14 - HA    MET   11  10.33 +/- 1.15   0.049% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  11.10 +/- 0.81   0.023% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  13.23 +/- 2.73   0.017% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  19.26 +/- 3.82   0.003% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.94 +/- 1.44   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.59 +/- 2.92   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.60 +/- 1.27   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  34.03 +/- 2.19   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  37.99 +/- 3.11   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.33 +/- 1.61   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.34 +/- 2.28   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.22 +/- 2.67   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  29.05 +/- 1.21   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  36.74 +/- 2.48   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.771, support = 3.62, residual support = 46.1:
    * O T HG3   MET   11 - HA    MET   11   3.17 +/- 0.67  39.271% * 72.0852% (1.00  10.0 10.00   4.00  44.93) =  63.557%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.85 +/- 0.22  60.655% * 26.7596% (0.37  10.0 10.00   2.96  48.02) =  36.442%  kept
        T HB3   GLU-  14 - HA    MET   11  10.49 +/- 1.27   0.038% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  10.97 +/- 0.94   0.027% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  14.46 +/- 0.93   0.005% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  20.25 +/- 3.08   0.002% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.13 +/- 1.65   0.002% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.24 +/- 2.76   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.90 +/- 1.00   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.90 +/- 2.62   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.53 +/- 1.89   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  32.69 +/- 2.55   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  27.76 +/- 1.36   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.25 +/- 2.57   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.597, support = 3.5, residual support = 46.0:
    * O T HA    MET   11 - HG2   MET   11   3.81 +/- 0.40  13.768% * 80.1788% (1.00  10.0 10.00   4.00  44.93) =  51.909%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.74 +/- 0.19  81.067% * 12.3437% (0.15  10.0 10.00   2.96  48.02) =  47.056%  kept
          HA    ALA   12 - HG2   MET   11   5.09 +/- 0.93   3.654% *  6.0165% (0.53   1.0  1.00   2.85  12.13) =   1.034%  kept
        T HA    MET   11 - HB2   GLU-  14  10.33 +/- 1.15   0.047% *  0.3003% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  11.10 +/- 0.81   0.022% *  0.3296% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   GLU-  14   7.33 +/- 0.94   0.324% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ARG+  54   6.03 +/- 0.62   0.927% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.85 +/- 0.67   0.175% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  14.41 +/- 2.00   0.008% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  19.05 +/- 2.77   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.43 +/- 1.36   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.57 +/- 1.32   0.003% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.62 +/- 1.10   0.003% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.54 +/- 1.39   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.06 +/- 1.71   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.40 +/- 2.38   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.56 +/- 1.33   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  24.38 +/- 1.47   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.59 +/- 2.92   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.52 +/- 1.60   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.78 +/- 1.12   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.63 +/- 1.12   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  22.43 +/- 1.69   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  34.10 +/- 2.98   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  36.63 +/- 2.26   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.39 +/- 1.21   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  37.99 +/- 3.11   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.63 +/- 2.45   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.86 +/- 1.25   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.67 +/- 2.70   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  30.72 +/- 2.25   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  32.05 +/- 1.70   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  26.34 +/- 0.97   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  40.93 +/- 2.34   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  29.59 +/- 2.15   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  34.88 +/- 3.03   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.891, support = 3.31, residual support = 45.4:
    * O T QB    MET   11 - HG2   MET   11   2.24 +/- 0.12  56.504% * 80.4450% (1.00  10.0 10.00   3.31  44.93) =  86.169%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.13  42.767% * 17.0553% (0.21  10.0 10.00   3.29  48.02) =  13.828%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.52 +/- 0.85   0.693% *  0.2188% (0.27   1.0 10.00   0.02   1.37) =   0.003%
        T QB    MET   11 - HB2   GLU-  14   9.59 +/- 1.08   0.012% *  0.3012% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11  10.77 +/- 0.98   0.006% *  0.4554% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.98 +/- 1.33   0.003% *  0.5842% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  13.11 +/- 2.29   0.004% *  0.1131% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  15.47 +/- 3.21   0.001% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.31 +/- 1.31   0.003% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.52 +/- 1.37   0.001% *  0.0120% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  16.89 +/- 1.37   0.000% *  0.0183% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  15.61 +/- 1.79   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  13.13 +/- 1.04   0.002% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  24.16 +/- 2.50   0.000% *  0.0565% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.77 +/- 1.42   0.001% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.07 +/- 1.32   0.000% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.98 +/- 2.88   0.000% *  0.0440% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.64 +/- 2.36   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.80 +/- 1.57   0.000% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.37 +/- 1.13   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.92 +/- 1.40   0.000% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  34.16 +/- 2.61   0.000% *  0.0778% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.50 +/- 1.71   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  26.04 +/- 1.72   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.64 +/- 1.97   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.68 +/- 1.22   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.00 +/- 1.57   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  31.82 +/- 2.74   0.000% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  35.27 +/- 2.87   0.000% *  0.0292% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  34.37 +/- 2.14   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  36.04 +/- 1.96   0.000% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  36.01 +/- 2.50   0.000% *  0.0302% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.19 +/- 2.26   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 45.7:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.997% * 72.5786% (1.00  10.0 10.00   4.00  44.93) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.998% * 25.7103% (0.35  10.0 10.00   3.00  48.02) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.48 +/- 1.33   0.001% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.99 +/- 1.49   0.001% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  10.65 +/- 1.55   0.002% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  11.52 +/- 1.42   0.001% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.17 +/- 1.17   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  24.31 +/- 2.18   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  17.07 +/- 1.97   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  32.97 +/- 2.05   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  22.88 +/- 2.80   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  28.62 +/- 2.95   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  21.79 +/- 2.41   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.30 +/- 1.32   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.69 +/- 1.06   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.86 +/- 2.27   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  31.08 +/- 1.99   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  38.57 +/- 3.07   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  27.33 +/- 1.65   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  37.42 +/- 2.02   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  26.73 +/- 1.97   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.846, support = 3.81, residual support = 45.1:
    * O T HA    MET   11 - HG3   MET   11   3.17 +/- 0.67  37.565% * 80.7370% (1.00  10.0 10.00   4.00  44.93) =  81.430%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.85 +/- 0.22  54.846% * 11.7841% (0.15  10.0 10.00   2.96  48.02) =  17.353%  kept
          HA    ALA   12 - HG3   MET   11   4.80 +/- 1.07   7.315% *  6.1943% (0.53   1.0  1.00   2.92  12.13) =   1.217%  kept
        T HA    MET   11 - HB3   GLU-  14  10.49 +/- 1.27   0.034% *  0.2866% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG3   MET   11  10.97 +/- 0.94   0.024% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.56 +/- 1.01   0.208% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  14.21 +/- 1.61   0.005% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  19.01 +/- 2.70   0.001% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  19.10 +/- 1.08   0.001% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.24 +/- 1.34   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  28.86 +/- 1.87   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  30.27 +/- 2.26   0.000% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  26.21 +/- 1.36   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  24.02 +/- 1.46   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  29.24 +/- 1.25   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  33.62 +/- 3.17   0.000% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  36.28 +/- 2.35   0.000% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  22.26 +/- 1.27   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  27.99 +/- 1.30   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  38.26 +/- 2.44   0.000% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  36.28 +/- 2.67   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.48 +/- 2.03   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  31.97 +/- 1.76   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  40.72 +/- 2.48   0.000% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.838, support = 3.31, residual support = 45.6:
    * O T QB    MET   11 - HG3   MET   11   2.50 +/- 0.11  43.937% * 81.3901% (1.00  10.0 10.00   3.31  44.93) =  79.731%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.41 +/- 0.13  55.565% * 16.3595% (0.20  10.0 10.00   3.29  48.02) =  20.267%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.50 +/- 0.52   0.453% *  0.2098% (0.26   1.0 10.00   0.02   1.37) =   0.002%
        T QG    GLU-  14 - HG3   MET   11  10.49 +/- 1.29   0.010% *  0.4608% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14   9.73 +/- 1.12   0.016% *  0.2890% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  12.02 +/- 1.61   0.006% *  0.5910% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  12.84 +/- 2.29   0.006% *  0.1084% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  15.15 +/- 2.82   0.002% *  0.3055% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  12.05 +/- 0.95   0.004% *  0.0141% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  16.57 +/- 1.08   0.001% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  21.92 +/- 1.65   0.000% *  0.0396% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  26.60 +/- 1.78   0.000% *  0.0494% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.57 +/- 1.39   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  25.73 +/- 1.73   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  27.37 +/- 1.34   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  26.43 +/- 1.83   0.000% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  23.82 +/- 1.61   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  31.35 +/- 2.96   0.000% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  34.33 +/- 2.19   0.000% *  0.0251% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  35.77 +/- 2.14   0.000% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  35.74 +/- 2.72   0.000% *  0.0305% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  32.23 +/- 2.44   0.000% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 45.7:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.998% * 71.8618% (1.00  10.0 10.00   4.00  44.93) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.999% * 25.4564% (0.35  10.0 10.00   3.00  48.02) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.99 +/- 1.49   0.001% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  11.48 +/- 1.33   0.001% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  14.31 +/- 2.54   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  19.43 +/- 3.83   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  34.46 +/- 1.91   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  40.02 +/- 2.43   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  28.62 +/- 2.95   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  25.42 +/- 1.26   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  24.20 +/- 1.23   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  38.57 +/- 3.07   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  29.86 +/- 1.68   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  34.14 +/- 1.74   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  28.44 +/- 1.26   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  37.63 +/- 1.79   0.000% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.896, support = 3.39, residual support = 45.3:
    * O T HA    MET   11 - QB    MET   11   2.34 +/- 0.15  47.832% * 85.1002% (1.00  10.0 10.00   3.37  44.93) =  88.032%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.36 +/- 0.35  48.722% * 11.3536% (0.13  10.0 10.00   3.56  48.02) =  11.963%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.63 +/- 0.72   1.220% *  0.0843% (0.10   1.0 10.00   0.02   1.37) =   0.002%
          HA    ALA   12 - QB    MET   11   4.11 +/- 0.25   2.034% *  0.0448% (0.53   1.0  1.00   0.02  12.13) =   0.002%
        T HA    GLU-  14 - QB    MET   11   9.55 +/- 0.71   0.013% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14  10.06 +/- 1.07   0.010% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   7.08 +/- 0.88   0.102% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.60 +/- 1.36   0.004% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.23 +/- 1.43   0.025% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   9.53 +/- 1.64   0.020% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.47 +/- 1.33   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.15 +/- 1.45   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.61 +/- 1.21   0.007% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  13.55 +/- 1.80   0.002% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.46 +/- 1.73   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  14.24 +/- 3.14   0.002% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  16.73 +/- 2.32   0.001% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  14.46 +/- 3.22   0.002% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  29.81 +/- 2.89   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  14.29 +/- 2.19   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.06 +/- 1.45   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.37 +/- 1.43   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.75 +/- 2.20   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  19.29 +/- 0.63   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.48 +/- 1.20   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.37 +/- 1.43   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.34 +/- 1.40   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.34 +/- 1.50   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.44 +/- 0.67   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.96 +/- 1.29   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  22.84 +/- 1.56   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  19.38 +/- 1.42   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.40 +/- 1.41   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  32.12 +/- 2.24   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.67 +/- 1.72   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  33.89 +/- 2.56   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.46 +/- 1.46   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  24.71 +/- 1.67   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.11 +/- 2.85   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.75 +/- 2.13   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  24.37 +/- 1.13   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  28.29 +/- 1.48   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.37 +/- 1.67   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  27.48 +/- 0.87   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.41 +/- 0.72   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  36.10 +/- 2.01   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  28.81 +/- 1.47   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.00 +/- 1.49   0.000% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 45.5:
    * O T HG2   MET   11 - QB    MET   11   2.24 +/- 0.12  56.432% * 73.8446% (1.00  10.0 10.00   3.31  44.93) =  80.316%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.35 +/- 0.13  42.707% * 23.9110% (0.32  10.0 10.00   3.29  48.02) =  19.682%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.52 +/- 0.85   0.693% *  0.1776% (0.24   1.0 10.00   0.02   1.37) =   0.002%
        T HB2   GLU-  14 - QB    MET   11   9.59 +/- 1.08   0.012% *  0.7368% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14  10.77 +/- 0.98   0.006% *  0.2396% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   7.94 +/- 2.14   0.136% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  11.98 +/- 1.33   0.003% *  0.1780% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  13.11 +/- 2.29   0.004% *  0.0918% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  15.47 +/- 3.21   0.001% *  0.0920% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  13.06 +/- 2.48   0.003% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  17.01 +/- 3.42   0.001% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  24.98 +/- 2.88   0.000% *  0.0420% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  19.87 +/- 0.98   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  24.16 +/- 2.50   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  18.13 +/- 2.69   0.001% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.26 +/- 1.31   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  19.76 +/- 1.48   0.000% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  21.47 +/- 1.49   0.000% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  31.60 +/- 1.57   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  30.44 +/- 1.66   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  34.16 +/- 2.61   0.000% *  0.1293% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  26.37 +/- 1.69   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.47 +/- 1.12   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.01 +/- 1.23   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  30.17 +/- 1.59   0.000% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  35.46 +/- 1.98   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  23.08 +/- 1.61   0.000% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  25.55 +/- 1.66   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  35.27 +/- 2.87   0.000% *  0.0161% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  27.65 +/- 0.90   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  33.26 +/- 1.87   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.59 +/- 1.16   0.000% *  0.0012% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.806, support = 3.31, residual support = 45.8:
    * O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.11  43.927% * 75.1074% (1.00  10.0 10.00   3.31  44.93) =  72.033%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.41 +/- 0.13  55.552% * 23.0568% (0.31  10.0 10.00   3.29  48.02) =  27.965%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.50 +/- 0.52   0.453% *  0.1713% (0.23   1.0 10.00   0.02   1.37) =   0.002%
        T HB3   GLU-  14 - QB    MET   11   9.73 +/- 1.12   0.016% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14  10.49 +/- 1.29   0.010% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.02 +/- 1.61   0.006% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  12.84 +/- 2.29   0.006% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  15.15 +/- 2.82   0.002% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.50 +/- 1.59   0.007% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  11.94 +/- 1.44   0.006% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.86 +/- 2.03   0.007% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.71 +/- 1.74   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  12.08 +/- 0.48   0.004% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  18.85 +/- 2.52   0.000% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.15 +/- 2.32   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.80 +/- 1.48   0.000% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  23.98 +/- 1.46   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.14 +/- 1.09   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.57 +/- 0.94   0.001% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.95 +/- 1.46   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.83 +/- 1.22   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.26 +/- 2.00   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.08 +/- 1.59   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  21.07 +/- 0.51   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  29.18 +/- 2.01   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.90 +/- 1.93   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  31.29 +/- 1.43   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  30.01 +/- 0.82   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  99.997% * 99.1918% (0.82  10.0 10.00   2.00  12.37) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  13.91 +/- 2.26   0.002% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  20.10 +/- 1.86   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  20.39 +/- 1.74   0.000% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  21.90 +/- 2.22   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.34 +/- 1.97   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  21.57 +/- 1.68   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  29.81 +/- 3.28   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  31.28 +/- 1.84   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  28.32 +/- 2.24   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  32.49 +/- 3.39   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  37.13 +/- 2.57   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  30.89 +/- 1.43   0.000% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  96.873% * 99.5569% (0.82  10.0 10.00   2.00  12.37) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.86 +/- 0.17   2.845% *  0.0286% (0.24   1.0  1.00   0.02  12.13) =   0.001%
          HA    GLU-  14 - QB    ALA   12   5.92 +/- 0.77   0.282% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  24.47 +/- 2.26   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  20.80 +/- 1.69   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  27.36 +/- 2.42   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  26.39 +/- 2.13   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  26.68 +/- 2.00   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  28.77 +/- 2.13   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.925, support = 2.03, residual support = 10.3:
    * O T QB    SER   13 - HA    SER   13   2.39 +/- 0.17  73.496% * 64.9056% (1.00  10.0 10.00   1.93   7.42) =  84.829%  kept
      O T HB3   SER   37 - HA    SER   37   2.88 +/- 0.19  26.003% * 32.8086% (0.51  10.0 10.00   2.58  26.64) =  15.171%  kept
          HB    THR   39 - HA    SER   37   6.00 +/- 0.56   0.380% *  0.0346% (0.53   1.0  1.00   0.02   2.59) =   0.000%
        T HB3   SER   37 - HA    SER   13  11.00 +/- 2.40   0.019% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  11.18 +/- 2.74   0.022% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.43 +/- 0.72   0.045% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46  10.17 +/- 0.71   0.014% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  12.59 +/- 2.24   0.007% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  13.38 +/- 2.38   0.005% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  11.35 +/- 0.54   0.007% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.47 +/- 0.84   0.002% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.84 +/- 0.65   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.13 +/- 0.81   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.97 +/- 0.74   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.18 +/- 0.79   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  17.99 +/- 0.69   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.83 +/- 2.20   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.76 +/- 2.01   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  26.86 +/- 0.45   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.53 +/- 1.57   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  30.78 +/- 2.69   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.86 +/- 1.57   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  33.64 +/- 1.59   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  34.36 +/- 0.91   0.000% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.926, support = 2.03, residual support = 10.4:
    * O T HA    SER   13 - QB    SER   13   2.39 +/- 0.17  73.441% * 63.8850% (1.00  10.0 10.00   1.93   7.42) =  84.231%  kept
      O T HA    SER   37 - HB3   SER   37   2.88 +/- 0.19  25.982% * 33.8056% (0.53  10.0 10.00   2.58  26.64) =  15.769%  kept
        T HA    SER   13 - HB3   SER   37  11.00 +/- 2.40   0.019% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QB    SER   13   6.94 +/- 0.56   0.144% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  11.18 +/- 2.74   0.022% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   6.12 +/- 0.43   0.298% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.54 +/- 0.47   0.039% *  0.0565% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  10.03 +/- 1.62   0.029% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  11.32 +/- 0.69   0.008% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  10.31 +/- 0.66   0.013% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.09 +/- 1.91   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  14.73 +/- 1.58   0.002% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.13 +/- 0.81   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.97 +/- 0.74   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  15.34 +/- 2.47   0.002% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.38 +/- 1.38   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  21.26 +/- 4.46   0.000% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  18.10 +/- 2.07   0.001% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.61 +/- 0.88   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  22.18 +/- 3.25   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  26.28 +/- 1.47   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  27.36 +/- 1.58   0.000% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.962, support = 3.02, residual support = 47.8:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.74 +/- 0.19  85.495% * 70.8449% (1.00  10.0 10.00   2.96  48.02) =  93.814%  kept
      O T HG2   MET   11 - HA    MET   11   3.81 +/- 0.40  14.396% * 27.7398% (0.39  10.0 10.00   4.00  44.93) =   6.185%  kept
        T HG2   MET   11 - HA    GLU-  14  11.10 +/- 0.81   0.023% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    MET   11  10.33 +/- 1.15   0.049% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  13.23 +/- 2.73   0.017% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  14.26 +/- 1.31   0.006% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  16.29 +/- 3.26   0.010% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  19.26 +/- 3.82   0.003% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.94 +/- 1.44   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.59 +/- 2.92   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.60 +/- 1.27   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  30.33 +/- 1.61   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  34.03 +/- 2.19   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  37.99 +/- 3.11   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  39.22 +/- 2.67   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.34 +/- 2.28   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.862, support = 3.51, residual support = 46.6:
    * O T QG    GLU-  14 - HA    GLU-  14   2.36 +/- 0.35  49.638% * 45.0668% (1.00  10.0 10.00   3.56  48.02) =  80.386%  kept
      O T QB    MET   11 - HA    MET   11   2.34 +/- 0.15  49.078% * 10.0127% (0.22  10.0 10.00   3.37  44.93) =  17.658%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.63 +/- 0.72   1.251% * 43.4925% (0.97   1.0 10.00   2.71   1.37) =   1.956%  kept
        T QB    MET   11 - HA    GLU-  14   9.55 +/- 0.71   0.013% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11  10.06 +/- 1.07   0.011% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.60 +/- 1.36   0.004% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  17.24 +/- 1.06   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  12.39 +/- 0.90   0.003% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  15.49 +/- 1.28   0.001% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  25.77 +/- 2.26   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  19.41 +/- 3.67   0.001% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.23 +/- 1.94   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  23.59 +/- 1.54   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  28.41 +/- 1.00   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  26.53 +/- 1.86   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  31.74 +/- 2.73   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  34.81 +/- 2.58   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  34.85 +/- 2.84   0.000% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.976, support = 2.98, residual support = 47.8:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.74 +/- 0.19  81.984% * 81.8236% (1.00  10.0 10.00   2.96  48.02) =  97.230%  kept
      O T HA    MET   11 - HG2   MET   11   3.81 +/- 0.40  13.909% * 12.5969% (0.15  10.0 10.00   4.00  44.93) =   2.539%  kept
          HA    ALA   12 - HG2   MET   11   5.09 +/- 0.93   3.702% *  4.2837% (0.37   1.0  1.00   2.85  12.13) =   0.230%
          HA    ALA   12 - HB2   GLU-  14   7.33 +/- 0.94   0.328% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   GLU-  14  10.33 +/- 1.15   0.047% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  11.10 +/- 0.81   0.022% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.43 +/- 1.36   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.57 +/- 1.32   0.003% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.59 +/- 2.92   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.47 +/- 1.49   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.62 +/- 1.10   0.003% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.39 +/- 1.21   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.54 +/- 1.39   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.56 +/- 1.33   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.63 +/- 1.12   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  26.34 +/- 0.97   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  27.03 +/- 1.26   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.44 +/- 1.46   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.81 +/- 2.47   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.78 +/- 1.12   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.06 +/- 1.71   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  37.99 +/- 3.11   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.67 +/- 2.70   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.40 +/- 2.38   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.86 +/- 1.25   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  24.17 +/- 0.99   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  34.88 +/- 3.03   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  36.63 +/- 2.26   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.63 +/- 2.45   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  35.38 +/- 2.35   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.827, support = 3.3, residual support = 47.3:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.13  42.769% * 80.2785% (1.00  10.0 10.00   3.29  48.02) =  78.108%  kept
      O T QB    MET   11 - HG2   MET   11   2.24 +/- 0.12  56.507% * 17.0200% (0.21  10.0 10.00   3.31  44.93) =  21.879%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.52 +/- 0.85   0.693% *  0.7747% (0.97   1.0 10.00   0.02   1.37) =   0.012%
        T QB    MET   11 - HB2   GLU-  14   9.59 +/- 1.08   0.012% *  0.4545% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11  10.77 +/- 0.98   0.006% *  0.3006% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.98 +/- 1.33   0.003% *  0.2901% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.31 +/- 1.31   0.003% *  0.0796% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.52 +/- 1.37   0.001% *  0.0811% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  13.76 +/- 1.35   0.001% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  16.89 +/- 1.37   0.000% *  0.0801% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  15.61 +/- 1.79   0.001% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  24.16 +/- 2.50   0.000% *  0.1139% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.98 +/- 2.88   0.000% *  0.1181% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.64 +/- 2.36   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  12.92 +/- 1.28   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.37 +/- 1.13   0.000% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.00 +/- 1.57   0.000% *  0.0551% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.07 +/- 1.32   0.000% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  21.25 +/- 3.10   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.68 +/- 1.22   0.000% *  0.0775% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.80 +/- 1.57   0.000% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  26.03 +/- 1.84   0.000% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  34.16 +/- 2.61   0.000% *  0.0668% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.19 +/- 2.26   0.000% *  0.0207% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  36.04 +/- 1.96   0.000% *  0.0290% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.68 +/- 2.53   0.000% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  36.07 +/- 2.35   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.899, support = 3.53, residual support = 47.6:
    * O T HA    GLU-  14 - QG    GLU-  14   2.36 +/- 0.35  48.736% * 85.4905% (1.00  10.0 10.00   3.56  48.02) =  88.399%  kept
      O T HA    MET   11 - QB    MET   11   2.34 +/- 0.15  47.852% * 11.4057% (0.13  10.0 10.00   3.37  44.93) =  11.580%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.63 +/- 0.72   1.220% *  0.7522% (0.88   1.0 10.00   0.02   1.37) =   0.019%
          HA    ALA   12 - QB    MET   11   4.11 +/- 0.25   2.035% *  0.0272% (0.32   1.0  1.00   0.02  12.13) =   0.001%
          HA    ALA   12 - QG    GLU-  14   7.08 +/- 0.88   0.102% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14  10.06 +/- 1.07   0.010% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.55 +/- 0.71   0.013% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.23 +/- 1.43   0.025% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.60 +/- 1.36   0.004% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.47 +/- 1.33   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.15 +/- 1.45   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  19.12 +/- 1.14   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.06 +/- 1.45   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.07 +/- 1.33   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.46 +/- 1.73   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  24.71 +/- 1.67   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.46 +/- 1.46   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.37 +/- 1.43   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.34 +/- 1.40   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.34 +/- 1.50   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.67 +/- 1.72   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  22.77 +/- 1.86   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.40 +/- 1.41   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  24.27 +/- 1.61   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.07 +/- 2.17   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.11 +/- 2.85   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.75 +/- 2.20   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  32.12 +/- 2.24   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  33.89 +/- 2.56   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  31.01 +/- 2.43   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.865, support = 3.3, residual support = 47.4:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.41 +/- 0.13  55.567% * 74.4402% (1.00  10.0 10.00   3.29  48.02) =  80.462%  kept
      O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.11  43.939% * 22.8520% (0.31  10.0 10.00   3.31  44.93) =  19.532%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.50 +/- 0.52   0.453% *  0.6550% (0.88   1.0 10.00   0.02   1.37) =   0.006%
        T HG3   MET   11 - QG    GLU-  14  10.49 +/- 1.29   0.010% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11   9.73 +/- 1.12   0.016% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.02 +/- 1.61   0.006% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.50 +/- 1.59   0.007% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.71 +/- 1.74   0.001% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.80 +/- 1.48   0.000% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.95 +/- 1.46   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.14 +/- 1.09   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  23.98 +/- 1.46   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.83 +/- 1.22   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.08 +/- 1.59   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.15 +/- 2.32   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.26 +/- 2.00   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  29.18 +/- 2.01   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.90 +/- 1.93   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.997, support = 2.17, residual support = 10.5:
    * O T QG    GLU-  15 - HA    GLU-  15   2.79 +/- 0.62  90.079% * 49.8424% (1.00  10.0 10.00   2.11  11.38) =  90.795%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.46 +/- 0.76   9.463% * 48.1014% (0.97   1.0 10.00   2.78   1.37) =   9.205%  kept
          HB3   PHE   72 - HA    GLU-  15   8.36 +/- 0.80   0.266% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  11.73 +/- 1.58   0.026% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.38 +/- 0.73   0.021% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.50 +/- 1.68   0.007% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  13.04 +/- 2.01   0.014% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  11.37 +/- 0.53   0.032% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  15.40 +/- 1.77   0.008% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  13.42 +/- 0.81   0.014% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.18 +/- 0.49   0.013% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  19.89 +/- 2.23   0.002% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  17.86 +/- 2.48   0.004% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  15.83 +/- 2.67   0.006% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  14.16 +/- 1.40   0.010% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  15.42 +/- 0.49   0.005% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  19.54 +/- 1.67   0.002% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.73 +/- 0.39   0.005% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  20.28 +/- 0.50   0.001% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.77 +/- 0.32   0.017% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  17.42 +/- 0.44   0.002% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  25.13 +/- 0.78   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  20.84 +/- 1.23   0.001% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  22.97 +/- 1.62   0.001% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  23.04 +/- 0.56   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.78 +/- 2.44   0.001% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  24.77 +/- 1.28   0.000% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.1, residual support = 11.4:
    * O T QB    GLU-  15 - HA    GLU-  15   2.35 +/- 0.17  98.550% * 95.2027% (1.00  10.0 10.00   3.10  11.38) =  99.996%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.14 +/- 0.16   0.341% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   68 - HA    GLU-  15  10.61 +/- 2.34   0.055% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  11.48 +/- 1.25   0.009% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU-  15   7.70 +/- 0.76   0.107% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   6.80 +/- 0.83   0.228% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  12.48 +/- 1.00   0.006% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   6.40 +/- 1.14   0.566% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15   9.85 +/- 1.00   0.025% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  11.22 +/- 1.72   0.018% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  16.81 +/- 1.11   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  10.89 +/- 1.37   0.015% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  10.32 +/- 1.02   0.018% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.32 +/- 0.49   0.015% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.62 +/- 0.53   0.005% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.40 +/- 0.56   0.005% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  12.74 +/- 1.59   0.006% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.17 +/- 0.29   0.017% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  12.27 +/- 0.40   0.005% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.36 +/- 1.21   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.49 +/- 1.28   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  14.12 +/- 0.52   0.002% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.42 +/- 0.66   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  17.05 +/- 2.75   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  22.43 +/- 2.12   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  17.36 +/- 1.22   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  18.76 +/- 1.65   0.000% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  17.87 +/- 0.72   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  16.25 +/- 0.91   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.19 +/- 1.27   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  19.47 +/- 1.20   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  20.56 +/- 1.66   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  27.67 +/- 2.01   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.30 +/- 1.33   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  28.88 +/- 2.11   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  24.15 +/- 2.44   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.99, support = 2.17, residual support = 10.6:
    * O T HA    GLU-  15 - QG    GLU-  15   2.79 +/- 0.62  80.403% * 49.2302% (1.00  10.0 10.00   2.11  11.38) =  91.328%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.46 +/- 0.76   7.944% * 43.3151% (0.88   1.0 10.00   2.78   1.37) =   7.940%  kept
          HA    SER   13 - QG    GLU-  14   5.16 +/- 0.73   5.536% *  5.6890% (0.88   1.0  1.00   2.63   6.67) =   0.727%  kept
          HA    SER   13 - QG    GLU-  15   6.12 +/- 1.08   3.998% *  0.0492% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HA    GLN   17 - QG    GLU-  15   6.83 +/- 0.42   0.504% *  0.0279% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.29 +/- 0.58   1.128% *  0.0119% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  11.73 +/- 1.58   0.021% *  0.4657% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   7.96 +/- 0.87   0.242% *  0.0245% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  10.10 +/- 2.09   0.094% *  0.0279% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.50 +/- 1.68   0.006% *  0.4097% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.38 +/- 0.73   0.017% *  0.1187% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  13.04 +/- 2.01   0.011% *  0.1096% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  12.69 +/- 1.97   0.025% *  0.0245% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  15.40 +/- 1.77   0.006% *  0.0964% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  13.38 +/- 2.41   0.032% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  19.89 +/- 2.23   0.001% *  0.1123% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  17.15 +/- 1.18   0.003% *  0.0491% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  17.86 +/- 2.48   0.003% *  0.0264% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  16.90 +/- 3.34   0.004% *  0.0168% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  19.28 +/- 1.46   0.001% *  0.0432% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.82 +/- 1.52   0.007% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.39 +/- 1.11   0.001% *  0.0318% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  19.89 +/- 1.30   0.001% *  0.0280% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  16.83 +/- 0.76   0.003% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.53 +/- 1.56   0.003% *  0.0059% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  21.33 +/- 2.46   0.001% *  0.0148% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  20.89 +/- 1.36   0.001% *  0.0123% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.85 +/- 1.51   0.000% *  0.0108% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  27.56 +/- 1.81   0.000% *  0.0118% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  21.69 +/- 2.34   0.001% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  26.48 +/- 4.05   0.000% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  29.05 +/- 1.69   0.000% *  0.0077% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  31.42 +/- 1.72   0.000% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.2:
    * O T HB2   GLN   17 - HA    GLN   17   2.53 +/- 0.08  99.426% * 97.7872% (1.00  10.0 10.00   4.00  84.24) =  99.996%  kept
        T QB    GLU-  15 - HA    GLN   17   6.59 +/- 0.20   0.326% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   68 - HA    GLN   17  10.51 +/- 2.40   0.107% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLN   17   8.21 +/- 0.47   0.094% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17  11.32 +/- 1.77   0.024% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  11.62 +/- 0.95   0.013% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  12.40 +/- 0.90   0.008% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  21.05 +/- 0.56   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  20.46 +/- 1.47   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  17.17 +/- 1.53   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  24.12 +/- 1.68   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  21.69 +/- 1.65   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.2:
    * O T QG    GLN   17 - HA    GLN   17   3.10 +/- 0.48  99.699% * 98.5118% (0.76  10.0 10.00   4.31  84.24) =  99.997%  kept
        T HB    VAL   70 - HA    GLN   17   9.51 +/- 1.48   0.285% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   96 - HA    GLN   17  17.00 +/- 0.72   0.005% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  17.17 +/- 1.10   0.005% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  20.13 +/- 2.00   0.002% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.25 +/- 0.54   0.002% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  19.51 +/- 1.66   0.002% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.198, support = 3.55, residual support = 48.2:
    * O T HA    GLN   17 - HB2   GLN   17   2.53 +/- 0.08  39.002% * 57.9333% (0.24  10.0 10.00   4.00  84.24) =  50.488%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.35 +/- 0.17  60.181% * 36.8149% (0.15  10.0 10.00   3.10  11.38) =  49.506%  kept
        T HA    GLN   17 - QB    GLU-  15   6.59 +/- 0.20   0.124% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - HB3   PRO   68  10.51 +/- 2.40   0.045% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  15 - HB2   GLN   17   6.14 +/- 0.16   0.197% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  15 - HB3   PRO   68  10.61 +/- 2.34   0.033% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - QB    GLU-  15   5.64 +/- 0.41   0.354% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15   9.81 +/- 1.91   0.032% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  12.48 +/- 1.00   0.003% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  11.48 +/- 1.25   0.005% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  14.67 +/- 3.61   0.007% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  14.82 +/- 1.90   0.003% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  13.73 +/- 0.59   0.002% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  12.35 +/- 1.08   0.003% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  12.09 +/- 0.56   0.003% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  16.81 +/- 1.11   0.001% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  14.34 +/- 1.86   0.002% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  16.16 +/- 1.23   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.31 +/- 0.64   0.001% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  16.27 +/- 0.88   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  17.95 +/- 1.68   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  17.14 +/- 1.50   0.000% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  19.20 +/- 1.16   0.000% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.40 +/- 1.24   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.185, support = 4.31, residual support = 84.2:
    * O T QG    GLN   17 - HB2   GLN   17   2.41 +/- 0.14  98.306% * 84.9728% (0.18  10.0 10.00   4.31  84.24) =  99.977%  kept
        T QG    GLN   17 - QB    GLU-  15   5.08 +/- 0.50   1.315% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.015%
        T HB    VAL   70 - HB3   PRO   68   7.18 +/- 0.58   0.168% *  2.3301% (0.51   1.0 10.00   0.02   0.02) =   0.005%
        T HB    VAL   70 - QB    GLU-  15   8.16 +/- 1.54   0.149% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HB3   PRO   68  10.83 +/- 2.00   0.038% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   GLN   17  11.43 +/- 1.41   0.012% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  15.90 +/- 1.43   0.002% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  14.40 +/- 1.84   0.003% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  17.80 +/- 1.16   0.001% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  18.96 +/- 0.66   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  21.40 +/- 1.95   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.40 +/- 0.84   0.001% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.32 +/- 1.07   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  16.83 +/- 2.11   0.001% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  26.57 +/- 1.48   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.15 +/- 1.17   0.001% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.80 +/- 0.55   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.03 +/- 0.80   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  18.81 +/- 1.43   0.001% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  24.98 +/- 1.37   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.23 +/- 1.60   0.000% *  0.0379% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.762, support = 4.29, residual support = 83.7:
    * O T HA    GLN   17 - QG    GLN   17   3.10 +/- 0.48  59.255% * 98.3732% (0.76  10.0 10.00   4.31  84.24) =  99.381%  kept
          HA    GLU-  15 - QG    GLN   17   3.74 +/- 0.81  38.904% *  0.9321% (0.43   1.0  1.00   0.33   0.02) =   0.618%  kept
        T HA    GLN   17 - HB    VAL   70   9.51 +/- 1.48   0.139% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG    GLN   17   9.05 +/- 0.91   0.145% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    VAL   70   6.93 +/- 0.61   0.641% *  0.0122% (0.09   1.0  1.00   0.02   1.37) =   0.000%
          HA    LEU   40 - HB    VAL   70   7.09 +/- 0.92   0.723% *  0.0076% (0.06   1.0  1.00   0.02  36.65) =   0.000%
          HA    GLU-  15 - HB    VAL   70   9.51 +/- 1.52   0.122% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  12.74 +/- 0.71   0.015% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  14.50 +/- 1.52   0.009% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  14.19 +/- 1.27   0.008% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.74 +/- 0.73   0.004% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.27 +/- 0.95   0.008% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.77 +/- 0.64   0.014% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  15.26 +/- 2.04   0.007% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.82 +/- 1.15   0.006% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  17.34 +/- 0.83   0.002% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.2:
    * O T HB2   GLN   17 - QG    GLN   17   2.41 +/- 0.14  96.192% * 95.9708% (0.76  10.0 10.00   4.31  84.24) =  99.985%  kept
        T QB    GLU-  15 - QG    GLN   17   5.08 +/- 0.50   1.277% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.013%
        T QB    GLU-  15 - HB    VAL   70   8.16 +/- 1.54   0.148% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - QG    GLN   17  10.83 +/- 2.00   0.038% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.18 +/- 0.58   0.161% *  0.1574% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLN   17   6.57 +/- 1.03   0.319% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.00 +/- 1.47   1.732% *  0.0096% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.43 +/- 1.41   0.012% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17   9.30 +/- 1.12   0.037% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  17.40 +/- 1.18   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17  11.52 +/- 1.34   0.013% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  10.27 +/- 1.06   0.019% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.22 +/- 1.03   0.022% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  13.60 +/- 1.10   0.004% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  19.49 +/- 1.52   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.02 +/- 0.92   0.007% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  10.96 +/- 0.68   0.012% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  21.84 +/- 0.84   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  20.19 +/- 1.16   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.12 +/- 2.41   0.005% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.24 +/- 1.05   0.001% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  17.79 +/- 1.21   0.001% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  23.72 +/- 1.39   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.43 +/- 2.25   0.000% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.2:
    * O T HB    VAL   18 - HA    VAL   18   2.79 +/- 0.21  99.209% * 99.6862% (1.00  10.0 10.00   3.44  77.20) =  99.999%  kept
          HB2   LEU   67 - HA    VAL   18   7.59 +/- 1.82   0.773% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - HA    VAL   18  13.07 +/- 1.05   0.011% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  19.06 +/- 2.47   0.003% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  16.67 +/- 1.12   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  17.87 +/- 1.26   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T QG1   VAL   18 - HA    VAL   18   2.25 +/- 0.26  99.257% * 98.7319% (1.00  10.0 10.00   4.00  77.20) =  99.999%  kept
        T QG1   VAL   70 - HA    VAL   18   8.23 +/- 0.93   0.063% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    VAL   18   6.88 +/- 1.42   0.636% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   18   9.33 +/- 1.51   0.040% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  14.11 +/- 1.54   0.003% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.59 +/- 1.10   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.27 +/- 0.75   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 4.0, residual support = 76.4:
    * O T QG2   VAL   18 - HA    VAL   18   2.86 +/- 0.28  90.362% * 85.8515% (1.00  10.0 10.00   4.00  77.20) =  98.468%  kept
          QD1   ILE   19 - HA    VAL   18   4.94 +/- 0.96   9.410% * 12.8238% (0.73   1.0  1.00   4.11  23.45) =   1.532%  kept
        T QG1   VAL   41 - HA    VAL   18  10.89 +/- 0.63   0.038% *  0.6561% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.39 +/- 0.72   0.088% *  0.0842% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    VAL   18   9.56 +/- 0.66   0.081% *  0.0793% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.29 +/- 1.18   0.006% *  0.4861% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  12.85 +/- 0.77   0.014% *  0.0191% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.2:
    * O T HA    VAL   18 - HB    VAL   18   2.79 +/- 0.21  99.962% * 99.3791% (1.00  10.0 10.00   3.44  77.20) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  11.52 +/- 1.12   0.022% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.55 +/- 1.51   0.005% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  16.51 +/- 1.12   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.00 +/- 0.68   0.002% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  17.40 +/- 1.45   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  17.25 +/- 1.26   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  18.36 +/- 0.82   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  23.14 +/- 0.93   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  22.99 +/- 0.64   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.2:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.02  99.927% * 99.5994% (1.00  10.0 10.00   3.44  77.20) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   18   9.06 +/- 1.42   0.032% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.57 +/- 1.34   0.019% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   9.42 +/- 1.50   0.020% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  14.04 +/- 1.51   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.91 +/- 1.65   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  17.13 +/- 1.08   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 77.2:
    * O T QG2   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.790% * 98.4101% (1.00  10.0 10.00   3.27  77.20) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   6.83 +/- 0.88   0.172% *  0.0715% (0.73   1.0  1.00   0.02  23.45) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.45 +/- 0.60   0.028% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  12.83 +/- 0.90   0.002% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18  10.87 +/- 0.83   0.006% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.64 +/- 1.56   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  14.95 +/- 0.93   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T HA    VAL   18 - QG1   VAL   18   2.25 +/- 0.26  99.948% * 97.2871% (1.00  10.0 10.00   4.00  77.20) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18   8.85 +/- 0.83   0.030% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  12.36 +/- 1.12   0.007% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  17.95 +/- 0.96   0.001% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.26 +/- 0.54   0.003% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  13.10 +/- 0.83   0.003% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  13.69 +/- 1.16   0.003% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  13.53 +/- 0.99   0.003% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.28 +/- 0.59   0.002% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  17.52 +/- 0.56   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.2:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.02  99.865% * 99.6862% (1.00  10.0 10.00   3.44  77.20) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   6.92 +/- 1.04   0.120% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  13.68 +/- 2.07   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  12.09 +/- 0.80   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  11.54 +/- 1.04   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.22 +/- 1.08   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T QG2   VAL   18 - QG1   VAL   18   2.07 +/- 0.05  99.269% * 98.4101% (1.00  10.0 10.00   4.00  77.20) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.43 +/- 0.65   0.502% *  0.0715% (0.73   1.0  1.00   0.02  23.45) =   0.000%
          QG2   THR   46 - QG1   VAL   18   6.24 +/- 0.71   0.168% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   9.60 +/- 0.66   0.011% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   7.67 +/- 0.67   0.044% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  12.76 +/- 1.16   0.002% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  11.05 +/- 0.75   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T HA    VAL   18 - QG2   VAL   18   2.86 +/- 0.28  96.792% * 97.9277% (1.00  10.0 10.00   4.00  77.20) =  99.998%  kept
          HA    VAL   70 - QG1   VAL   41   6.43 +/- 0.34   0.964% *  0.0514% (0.52   1.0  1.00   0.02   2.72) =   0.001%
          HA    GLN   32 - QG1   VAL   41   6.21 +/- 0.52   1.285% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   41   7.30 +/- 0.51   0.458% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QG1   VAL   41  10.89 +/- 0.63   0.041% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   8.86 +/- 0.64   0.143% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18  10.13 +/- 0.77   0.058% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  12.01 +/- 1.63   0.032% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.44 +/- 1.05   0.130% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  13.58 +/- 1.09   0.011% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  13.65 +/- 0.93   0.010% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.29 +/- 1.18   0.006% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  14.82 +/- 1.55   0.006% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  13.71 +/- 1.07   0.010% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  14.98 +/- 0.79   0.005% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  18.16 +/- 1.40   0.002% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  17.26 +/- 0.92   0.002% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  15.32 +/- 0.43   0.004% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.47 +/- 1.39   0.002% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.01 +/- 1.82   0.010% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.79 +/- 0.92   0.007% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  18.30 +/- 0.87   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.87 +/- 1.08   0.011% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.77 +/- 1.02   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  20.23 +/- 0.83   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  16.25 +/- 0.99   0.003% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.66 +/- 0.38   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  21.55 +/- 1.01   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.41 +/- 0.86   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.50 +/- 0.88   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 77.2:
    * O T HB    VAL   18 - QG2   VAL   18   2.13 +/- 0.01  98.728% * 98.5012% (1.00  10.0 10.00   3.27  77.20) = 100.000%  kept
          HB2   LEU   67 - QG2   VAL   18   8.01 +/- 2.04   0.197% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   41   5.21 +/- 0.31   0.502% *  0.0257% (0.26   1.0  1.00   0.02  19.75) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   5.91 +/- 1.15   0.545% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  12.83 +/- 0.90   0.002% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  13.84 +/- 2.10   0.007% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41  11.21 +/- 1.13   0.006% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  12.63 +/- 1.50   0.003% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.64 +/- 1.56   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  14.17 +/- 1.35   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  12.93 +/- 0.97   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  12.76 +/- 2.17   0.004% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  17.47 +/- 1.18   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.82 +/- 1.24   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  22.46 +/- 1.23   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  20.42 +/- 1.15   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  19.45 +/- 1.82   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  22.88 +/- 1.11   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.981, support = 4.03, residual support = 80.1:
    * O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.05  74.692% * 90.9635% (1.00  10.0 10.00   4.00  77.20) =  97.942%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.65 +/- 0.34  20.943% *  6.8036% (0.07  10.0 10.00   5.44 218.98) =   2.054%  kept
          QD1   LEU   71 - QG1   VAL   41   4.38 +/- 0.99   4.080% *  0.0581% (0.64   1.0  1.00   0.02   4.41) =   0.003%
        T QG1   VAL   18 - QG1   VAL   41   9.60 +/- 0.66   0.008% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.51 +/- 1.26   0.064% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   8.94 +/- 0.85   0.014% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.76 +/- 0.44   0.068% *  0.0681% (0.75   1.0  1.00   0.02   2.72) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   8.31 +/- 1.51   0.034% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.56 +/- 0.87   0.019% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.51 +/- 1.04   0.044% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.76 +/- 1.16   0.002% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  12.27 +/- 1.57   0.003% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.90 +/- 1.07   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.54 +/- 1.15   0.003% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.40 +/- 3.03   0.008% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.32 +/- 2.42   0.002% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.21 +/- 1.12   0.008% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.28 +/- 1.23   0.003% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  13.81 +/- 0.84   0.001% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.52 +/- 0.55   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.06 +/- 0.43   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.4:
    * O T HB    ILE   19 - HA    ILE   19   2.97 +/- 0.08  97.547% * 98.7896% (1.00  10.0 10.00   5.75 172.42) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.64 +/- 0.26   2.230% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.49 +/- 0.56   0.199% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.30 +/- 0.46   0.008% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  15.57 +/- 1.30   0.006% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  15.36 +/- 1.88   0.007% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.37 +/- 1.14   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  20.00 +/- 1.34   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  21.29 +/- 1.17   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  25.16 +/- 1.39   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 172.4:
    * O T HG12  ILE   19 - HA    ILE   19   3.32 +/- 0.57  94.524% * 98.1529% (1.00  10.0 10.00   6.31 172.42) =  99.993%  kept
        T HG    LEU   73 - HA    ILE   19   7.62 +/- 0.59   1.121% *  0.3348% (0.34   1.0 10.00   0.02   4.00) =   0.004%
          HB3   LYS+  74 - HA    ILE   19   6.24 +/- 0.78   3.948% *  0.0556% (0.57   1.0  1.00   0.02   6.31) =   0.002%
        T HG    LEU   80 - HA    ILE   19  13.40 +/- 0.70   0.029% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  11.41 +/- 1.86   0.203% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    ILE   19  11.24 +/- 1.68   0.114% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.62 +/- 0.86   0.018% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  15.07 +/- 1.72   0.018% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.85 +/- 0.69   0.017% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  18.77 +/- 1.38   0.004% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  23.64 +/- 1.97   0.001% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.13 +/- 1.16   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.16 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.4:
    * O T HG13  ILE   19 - HA    ILE   19   2.69 +/- 0.48  99.404% * 98.2804% (1.00  10.0 10.00   5.75 172.42) =  99.998%  kept
        T HG    LEU   71 - HA    ILE   19   8.85 +/- 0.87   0.150% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   19   8.13 +/- 0.77   0.318% *  0.0907% (0.92   1.0  1.00   0.02   6.31) =   0.000%
          QG2   THR   39 - HA    ILE   19  10.38 +/- 0.77   0.056% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  14.74 +/- 1.45   0.008% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  10.17 +/- 0.35   0.058% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  19.32 +/- 1.14   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  19.23 +/- 0.63   0.001% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  19.68 +/- 0.69   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  18.53 +/- 0.61   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.62 +/- 1.17   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.985, support = 4.74, residual support = 164.0:
    *   T QD1   ILE   19 - HA    ILE   19   3.11 +/- 0.49  74.814% * 84.6380% (1.00 10.00   4.73 172.42) =  94.372%  kept
          QG2   VAL   18 - HA    ILE   19   4.15 +/- 0.74  24.967% * 15.1255% (0.73  1.00   4.92  23.45) =   5.628%  kept
          QG2   THR   46 - HA    ILE   19   9.61 +/- 0.56   0.106% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19  10.36 +/- 0.64   0.068% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  11.61 +/- 0.63   0.034% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.43 +/- 1.08   0.003% *  0.0817% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.69 +/- 0.80   0.008% *  0.0167% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.20 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.4:
    * O T HA    ILE   19 - HB    ILE   19   2.97 +/- 0.08  99.820% * 98.6066% (1.00  10.0 10.00   5.75 172.42) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  12.60 +/- 0.53   0.018% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19   8.85 +/- 0.49   0.158% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  19.88 +/- 0.87   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HB    ILE   19  17.60 +/- 0.94   0.003% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.4:
    * O T HG12  ILE   19 - HB    ILE   19   2.37 +/- 0.24  97.779% * 97.5273% (1.00  10.0 10.00   5.30 172.42) =  99.993%  kept
        T HG    LEU   73 - HB    ILE   19   4.84 +/- 0.81   1.795% *  0.3327% (0.34   1.0 10.00   0.02   4.00) =   0.006%
          HB3   LYS+  74 - HB    ILE   19   6.15 +/- 0.73   0.377% *  0.0552% (0.57   1.0  1.00   0.02   6.31) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  10.82 +/- 1.51   0.016% *  0.7082% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  12.04 +/- 0.65   0.006% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19  11.81 +/- 1.44   0.013% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  13.23 +/- 0.77   0.004% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.34 +/- 0.74   0.006% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.70 +/- 1.70   0.003% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  18.07 +/- 1.33   0.001% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  21.88 +/- 2.13   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.42 +/- 1.11   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.4:
    * O T HG13  ILE   19 - HB    ILE   19   2.78 +/- 0.24  98.437% * 97.6364% (1.00  10.0 10.00   5.00 172.42) =  99.988%  kept
        T HG    LEU   71 - HB    ILE   19   6.66 +/- 1.03   0.954% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  74 - HB    ILE   19   7.75 +/- 0.79   0.283% *  0.9013% (0.92   1.0 10.00   0.02   6.31) =   0.003%
          QG2   THR   39 - HB    ILE   19   8.85 +/- 0.86   0.119% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   8.02 +/- 0.36   0.190% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.42 +/- 1.69   0.007% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  16.88 +/- 1.10   0.002% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  18.04 +/- 0.75   0.002% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.43 +/- 0.78   0.002% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  16.44 +/- 0.78   0.003% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  24.44 +/- 1.31   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.0, residual support = 171.1:
    * O T QD1   ILE   19 - HB    ILE   19   2.81 +/- 0.25  94.896% * 84.6254% (1.00  10.0 10.00   3.99 172.42) =  99.119%  kept
          QG2   VAL   18 - HB    ILE   19   4.91 +/- 0.75   4.715% * 15.1382% (0.73   1.0  1.00   4.93  23.45) =   0.881%  kept
          QG1   VAL   43 - HB    ILE   19   8.09 +/- 0.66   0.206% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19   9.52 +/- 0.57   0.075% *  0.0707% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19   9.31 +/- 0.62   0.087% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  15.36 +/- 1.04   0.004% *  0.0817% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  12.36 +/- 0.81   0.016% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.14 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 172.4:
    * O T HA    ILE   19 - HG12  ILE   19   3.32 +/- 0.57  96.192% * 98.8520% (1.00  10.0 10.00   6.31 172.42) =  99.995%  kept
        T HA    ILE   19 - HG    LEU   73   7.62 +/- 0.59   1.137% *  0.3228% (0.33   1.0 10.00   0.02   4.00) =   0.004%
          HA    GLU-  25 - HG    LEU   80   8.53 +/- 0.88   0.577% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  13.40 +/- 0.70   0.030% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   8.41 +/- 0.68   0.586% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   8.79 +/- 1.50   0.846% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19   9.94 +/- 0.79   0.210% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  11.14 +/- 1.44   0.151% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  13.91 +/- 0.65   0.026% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80   9.76 +/- 0.62   0.217% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HG12  ILE   19  18.74 +/- 1.33   0.005% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HG    LEU   80  16.70 +/- 1.06   0.009% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HG    LEU   73  17.42 +/- 0.91   0.006% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  17.36 +/- 0.96   0.007% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  21.72 +/- 1.00   0.002% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.4:
    * O T HB    ILE   19 - HG12  ILE   19   2.37 +/- 0.24  97.551% * 98.3572% (1.00  10.0 10.00   5.30 172.42) =  99.994%  kept
        T HB    ILE   19 - HG    LEU   73   4.84 +/- 0.81   1.792% *  0.3212% (0.33   1.0 10.00   0.02   4.00) =   0.006%
          HB2   GLN   17 - HG12  ILE   19   6.89 +/- 0.74   0.382% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE   19   7.10 +/- 0.70   0.179% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  12.04 +/- 0.65   0.006% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   9.08 +/- 1.02   0.041% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  13.65 +/- 1.88   0.004% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  10.69 +/- 1.06   0.015% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.50 +/- 0.86   0.003% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.77 +/- 0.62   0.008% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.58 +/- 1.42   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  13.68 +/- 2.13   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  14.99 +/- 1.39   0.002% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  20.71 +/- 1.70   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.05 +/- 1.36   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  19.89 +/- 1.22   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  18.29 +/- 0.76   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.60 +/- 1.55   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.73 +/- 1.25   0.002% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  18.99 +/- 0.90   0.000% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  20.99 +/- 1.93   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  19.14 +/- 1.39   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  20.84 +/- 1.42   0.000% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  24.76 +/- 2.35   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  24.50 +/- 1.42   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  22.05 +/- 1.86   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.66 +/- 1.23   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.07 +/- 1.08   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  23.68 +/- 1.14   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  25.20 +/- 1.27   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.4:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.285% * 96.9096% (1.00  10.0 10.00   5.30 172.42) =  99.998%  kept
        T HG    LEU   71 - HG    LEU   73   5.80 +/- 1.39   0.417% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HG12  ILE   19   6.16 +/- 1.18   0.097% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HG    LEU   73   7.02 +/- 1.01   0.038% *  0.3165% (0.33   1.0 10.00   0.02   4.00) =   0.000%
          QG2   THR   39 - HG12  ILE   19   8.04 +/- 0.92   0.014% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   5.78 +/- 0.49   0.089% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   9.32 +/- 0.94   0.006% *  0.0895% (0.92   1.0  1.00   0.02   6.31) =   0.000%
          QG2   THR   39 - HG    LEU   73   8.07 +/- 1.12   0.015% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   7.89 +/- 0.83   0.015% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.53 +/- 0.65   0.009% *  0.0292% (0.30   1.0  1.00   0.02  40.88) =   0.000%
          HG2   LYS+  74 - HG    LEU   80   9.57 +/- 1.21   0.005% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  14.36 +/- 0.64   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  15.78 +/- 1.53   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80   9.76 +/- 1.18   0.004% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  12.95 +/- 0.65   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  13.87 +/- 1.46   0.001% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.55 +/- 1.54   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  15.13 +/- 1.88   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  16.82 +/- 0.84   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  14.16 +/- 2.14   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.58 +/- 1.10   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  13.33 +/- 0.87   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  13.11 +/- 0.81   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  19.32 +/- 1.14   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.07 +/- 0.88   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.21 +/- 2.22   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  16.06 +/- 0.64   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  18.01 +/- 1.22   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  22.23 +/- 1.21   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  23.62 +/- 1.22   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.36 +/- 1.97   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  22.74 +/- 1.01   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.56 +/- 1.65   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 172.4:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.01  92.034% * 98.4260% (1.00  10.0 10.00   4.16 172.42) =  99.996%  kept
        T QD1   ILE   19 - HG    LEU   73   5.51 +/- 1.03   0.627% *  0.3214% (0.33   1.0 10.00   0.02   4.00) =   0.002%
          QG1   VAL   43 - HG    LEU   73   4.50 +/- 1.05   6.429% *  0.0156% (0.16   1.0  1.00   0.02   8.77) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   5.41 +/- 0.61   0.471% *  0.0715% (0.73   1.0  1.00   0.02  23.45) =   0.000%
          QG2   THR   46 - HG    LEU   80   7.92 +/- 1.05   0.057% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   73   6.26 +/- 0.65   0.188% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  11.86 +/- 0.85   0.004% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.55 +/- 0.80   0.063% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   8.98 +/- 1.04   0.023% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.43 +/- 1.17   0.019% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  12.97 +/- 1.49   0.003% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  10.89 +/- 0.63   0.006% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   8.80 +/- 0.96   0.025% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73   9.91 +/- 0.73   0.011% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  12.42 +/- 1.46   0.003% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.80 +/- 0.82   0.025% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  11.75 +/- 1.34   0.004% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.46 +/- 1.30   0.003% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  15.40 +/- 1.53   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  12.99 +/- 1.09   0.002% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  18.10 +/- 1.12   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.4:
    * O T HA    ILE   19 - HG13  ILE   19   2.69 +/- 0.48  99.729% * 98.6722% (1.00  10.0 10.00   5.75 172.42) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   8.85 +/- 0.87   0.151% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  10.07 +/- 0.82   0.072% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYSS  53 - HG13  ILE   19  19.07 +/- 1.22   0.001% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  14.24 +/- 0.71   0.009% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  11.35 +/- 0.95   0.030% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  14.41 +/- 0.90   0.007% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYSS  53 - HG    LEU   71  21.39 +/- 1.17   0.001% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  22.24 +/- 0.84   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  22.55 +/- 1.31   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.4:
    * O T HB    ILE   19 - HG13  ILE   19   2.78 +/- 0.24  96.610% * 98.7569% (1.00  10.0 10.00   5.00 172.42) =  99.998%  kept
        T HB    ILE   19 - HG    LEU   71   6.66 +/- 1.03   0.935% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG13  ILE   19   6.22 +/- 0.83   1.225% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   6.95 +/- 0.71   0.504% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   7.13 +/- 1.26   0.628% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  14.03 +/- 1.91   0.008% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  14.68 +/- 0.92   0.005% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.79 +/- 1.06   0.022% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  13.90 +/- 2.32   0.011% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  11.46 +/- 1.12   0.025% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.41 +/- 2.01   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  12.42 +/- 1.40   0.020% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.34 +/- 1.40   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  15.84 +/- 1.05   0.003% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  20.82 +/- 1.42   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.56 +/- 1.64   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.96 +/- 2.08   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.28 +/- 1.15   0.001% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  21.63 +/- 1.15   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  22.93 +/- 0.97   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.4:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.407% * 97.7565% (1.00  10.0 10.00   5.30 172.42) = 100.000%  kept
        T HG    LEU   73 - HG    LEU   71   5.80 +/- 1.39   0.418% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   19 - HG    LEU   71   6.16 +/- 1.18   0.098% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   7.02 +/- 1.01   0.038% *  0.3335% (0.34   1.0 10.00   0.02   4.00) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   7.99 +/- 0.92   0.016% *  0.0553% (0.57   1.0  1.00   0.02   6.31) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  10.24 +/- 2.12   0.007% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  14.36 +/- 0.64   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  11.92 +/- 1.70   0.002% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.79 +/- 1.28   0.005% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  15.78 +/- 1.53   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   9.10 +/- 1.00   0.006% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.48 +/- 1.93   0.000% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  15.59 +/- 0.90   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.64 +/- 1.17   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.08 +/- 1.36   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  19.41 +/- 1.49   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  14.42 +/- 1.14   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  14.04 +/- 1.55   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  16.75 +/- 1.34   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  22.86 +/- 2.48   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  15.81 +/- 1.78   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.56 +/- 1.72   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.15 +/- 1.23   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  19.98 +/- 2.69   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 172.4:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.01  97.220% * 99.4572% (1.00  10.0 10.00   3.99 172.42) =  99.998%  kept
        T QD1   ILE   19 - HG    LEU   71   4.99 +/- 1.05   1.294% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HG13  ILE   19   5.29 +/- 0.73   0.608% *  0.0722% (0.73   1.0  1.00   0.02  23.45) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.24 +/- 0.78   0.747% *  0.0044% (0.04   1.0  1.00   0.02   4.41) =   0.000%
          QG1   VAL   43 - HG13  ILE   19   9.79 +/- 0.89   0.013% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.04 +/- 0.69   0.006% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   7.58 +/- 0.79   0.066% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19  10.19 +/- 0.98   0.010% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.27 +/- 0.76   0.018% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  16.18 +/- 1.45   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  11.84 +/- 1.13   0.004% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.77 +/- 1.13   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.15 +/- 0.61   0.010% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.93 +/- 1.17   0.002% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 172.4:
    *   T HA    ILE   19 - QD1   ILE   19   3.11 +/- 0.49  98.758% * 99.7561% (1.00 10.00   4.73 172.42) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   7.42 +/- 0.93   1.148% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  10.98 +/- 0.87   0.085% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - QD1   ILE   19  16.91 +/- 0.75   0.005% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  18.39 +/- 0.89   0.003% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.08 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 172.4:
    * O T HB    ILE   19 - QD1   ILE   19   2.81 +/- 0.25  95.155% * 99.4654% (1.00  10.0 10.00   3.99 172.42) =  99.997%  kept
          QB    GLU-  15 - QD1   ILE   19   5.69 +/- 0.98   2.880% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD1   ILE   19   6.30 +/- 1.03   1.881% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   ILE   19  11.40 +/- 1.13   0.033% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  12.10 +/- 1.58   0.023% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  12.07 +/- 1.85   0.024% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.44 +/- 0.89   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  18.52 +/- 1.14   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.91 +/- 1.11   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.01 +/- 1.48   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 172.4:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  99.179% * 97.8860% (1.00  10.0 10.00   4.16 172.42) =  99.998%  kept
        T HG    LEU   73 - QD1   ILE   19   5.51 +/- 1.03   0.645% *  0.3339% (0.34   1.0 10.00   0.02   4.00) =   0.002%
          HB3   LEU   67 - QD1   ILE   19   9.18 +/- 1.83   0.070% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   19   7.33 +/- 0.71   0.081% *  0.0554% (0.57   1.0  1.00   0.02   6.31) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  11.86 +/- 0.85   0.004% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  11.09 +/- 1.05   0.006% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19  10.97 +/- 1.35   0.008% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  12.83 +/- 0.92   0.003% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.79 +/- 1.57   0.003% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  16.90 +/- 1.08   0.000% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  19.59 +/- 2.11   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.64 +/- 1.42   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 172.4:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  98.319% * 98.6077% (1.00  10.0 10.00   3.99 172.42) =  99.988%  kept
        T HG    LEU   71 - QD1   ILE   19   4.99 +/- 1.05   1.307% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.012%
          QG2   THR   39 - QD1   ILE   19   6.77 +/- 0.99   0.170% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD1   ILE   19   6.47 +/- 0.75   0.171% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   8.81 +/- 0.77   0.026% *  0.0910% (0.92   1.0  1.00   0.02   6.31) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.24 +/- 1.28   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  13.76 +/- 1.03   0.002% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.76 +/- 1.44   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  16.99 +/- 0.52   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  15.77 +/- 0.81   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.49 +/- 1.11   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.13 +/- 0.02  99.997% * 99.6998% (1.00  10.0 10.00   2.31  15.23) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.25 +/- 0.53   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.14 +/- 0.91   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.25 +/- 1.57   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.80 +/- 0.78   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  24.58 +/- 1.41   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  23.42 +/- 2.32   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.13 +/- 0.02  99.990% * 99.9427% (1.00  10.0 10.00   2.31  15.23) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20  10.13 +/- 0.67   0.009% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  20.38 +/- 0.46   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (1.14, 1.14, 19.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   20 - QB    ALA   20  (1.00)  kept
 
    Peak 114 (4.59, 4.59, 57.78 ppm):
    1 diagonal assignment:
    *     HA    CYS   21 - HA    CYS   21  (1.00)  kept
 
    Peak 115 (3.08, 4.59, 57.78 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 28.7:
    * O T HB2   CYS   21 - HA    CYS   21   2.86 +/- 0.27  99.984% * 99.9059% (1.00  10.0 10.00   2.71  28.65) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  12.73 +/- 0.54   0.016% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  24.52 +/- 1.19   0.000% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.49, residual support = 28.7:
    * O T HB3   CYS   21 - HA    CYS   21   2.47 +/- 0.17  99.999% * 99.9348% (0.69  10.0 10.00   2.49  28.65) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  16.27 +/- 0.72   0.001% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (3.08, 3.08, 28.30 ppm):
    1 diagonal assignment:
    *     HB2   CYS   21 - HB2   CYS   21  (1.00)  kept
 
    Peak 119 (2.60, 3.08, 28.30 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.41, residual support = 28.7:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00 100.000% * 99.9348% (0.69  10.0 10.00   2.41  28.65) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  13.88 +/- 1.08   0.000% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.41, residual support = 28.7:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.41  28.65) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  11.44 +/- 0.91   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.46 +/- 1.18   0.000% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 34.5:
    * O T HB2   HIS   22 - HA    HIS   22   2.67 +/- 0.30  99.999% * 99.8331% (0.76  10.0 10.00   2.32  34.46) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.07 +/- 1.43   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  23.22 +/- 1.85   0.000% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.5:
    * O T HB3   HIS   22 - HA    HIS   22   2.81 +/- 0.26  99.998% * 99.9165% (0.95  10.0 10.00   3.46  34.46) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  20.28 +/- 3.37   0.002% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 34.5:
    * O T HA    HIS   22 - HB2   HIS   22   2.67 +/- 0.30  99.991% * 99.7956% (0.76  10.0 10.00   2.32  34.46) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  13.08 +/- 1.07   0.008% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  22.35 +/- 0.82   0.000% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.5:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.46) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  21.20 +/- 3.83   0.000% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.5:
    * O T HA    HIS   22 - HB3   HIS   22   2.81 +/- 0.26  99.988% * 99.7956% (0.95  10.0 10.00   3.46  34.46) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.44 +/- 0.96   0.012% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  22.49 +/- 0.99   0.000% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.5:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.46) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.05 +/- 1.45   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  25.23 +/- 1.90   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 19.2:
    * O T QG2   THR   23 - HA    THR   23   2.38 +/- 0.40  99.954% * 99.3383% (0.80  10.0 10.00   3.25  19.22) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   9.71 +/- 0.76   0.039% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  16.44 +/- 0.81   0.001% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  14.14 +/- 0.29   0.004% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  17.28 +/- 0.93   0.001% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  17.62 +/- 1.92   0.001% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  24.60 +/- 0.52   0.000% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.624, support = 3.25, residual support = 19.2:
    * O T HA    THR   23 - QG2   THR   23   2.38 +/- 0.40  40.388% * 73.9129% (0.80  10.0 10.00   3.25  19.22) =  66.150%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  59.520% * 25.6645% (0.28  10.0  1.00   3.25  19.22) =  33.850%  kept
          HA    LEU   80 - QG2   THR   23   6.73 +/- 0.92   0.079% *  0.0379% (0.41   1.0  1.00   0.02   6.67) =   0.000%
          HA    ASP-  78 - QG2   THR   23  10.05 +/- 0.83   0.006% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91  11.12 +/- 1.21   0.004% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  17.28 +/- 0.93   0.000% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  16.44 +/- 0.81   0.000% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.93 +/- 0.42   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.23 +/- 1.24   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.09 +/- 1.10   0.000% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.24 +/- 0.74   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  18.39 +/- 0.76   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 65.1:
    * O T QG1   VAL   24 - HA    VAL   24   2.90 +/- 0.42  99.941% * 99.7332% (1.00  10.0 10.00   3.43  65.10) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24  10.59 +/- 0.35   0.056% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  17.43 +/- 0.91   0.003% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  22.99 +/- 1.81   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  27.95 +/- 1.97   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.19 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 65.1:
    * O T HA    VAL   24 - QG1   VAL   24   2.90 +/- 0.42  99.995% * 99.8757% (1.00  10.0 10.00   3.43  65.10) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  17.95 +/- 0.61   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  19.29 +/- 1.14   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  21.30 +/- 1.26   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.03 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 127.2:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.96 +/- 0.05  99.975% * 99.2829% (1.00  10.0 10.00   5.17 127.23) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  14.91 +/- 0.97   0.007% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  15.27 +/- 0.56   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  17.25 +/- 1.15   0.003% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.02 +/- 0.50   0.006% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.40 +/- 0.76   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.77 +/- 0.31   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.44 +/- 1.21   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.85 +/- 1.06   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  25.36 +/- 0.70   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  29.26 +/- 0.78   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  26.61 +/- 1.00   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.2:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.75 +/- 0.12  99.913% * 98.0202% (1.00  10.0 10.00   5.00 127.23) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  12.60 +/- 0.53   0.012% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  14.15 +/- 1.33   0.007% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   9.46 +/- 0.44   0.063% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  19.88 +/- 0.87   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  17.97 +/- 1.17   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.70 +/- 0.58   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  20.99 +/- 1.18   0.001% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.22 +/- 1.10   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  25.50 +/- 1.01   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  18.35 +/- 0.91   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  26.12 +/- 1.31   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  24.03 +/- 1.34   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  29.74 +/- 1.41   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.76 +/- 1.15   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  26.20 +/- 0.64   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  30.88 +/- 1.52   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  31.88 +/- 0.78   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.2:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.16 +/- 0.20  99.984% * 99.4877% (1.00  10.0 10.00   4.31 127.23) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  14.08 +/- 1.34   0.002% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82   9.95 +/- 0.23   0.012% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  14.79 +/- 0.86   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  19.54 +/- 0.91   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.48 +/- 0.60   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  32.46 +/- 1.95   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  31.21 +/- 1.43   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  29.62 +/- 2.65   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  28.72 +/- 2.04   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.2:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.39 +/- 0.06  99.690% * 99.2510% (1.00  10.0 10.00   3.74 127.23) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  14.88 +/- 1.22   0.016% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  11.30 +/- 0.57   0.077% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.22 +/- 0.55   0.141% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  12.61 +/- 1.60   0.052% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  15.98 +/- 1.25   0.010% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  17.56 +/- 1.33   0.006% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  19.06 +/- 1.23   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  24.30 +/- 0.77   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  20.75 +/- 1.27   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.96 +/- 1.23   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  29.18 +/- 0.82   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  27.35 +/- 1.31   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  28.34 +/- 1.00   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.24 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 127.2:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.96 +/- 0.05  99.981% * 99.2383% (1.00  10.0 10.00   5.17 127.23) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  14.91 +/- 0.97   0.007% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.47 +/- 0.50   0.012% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HB2   GLU-  25  24.55 +/- 0.78   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 127.2:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.995% * 97.2368% (1.00  10.0 10.00   5.17 127.23) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.61 +/- 0.43   0.004% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  17.80 +/- 1.16   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.46 +/- 0.58   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  18.96 +/- 0.66   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  26.57 +/- 1.48   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.59 +/- 1.05   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  26.15 +/- 1.05   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  31.10 +/- 1.28   0.000% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 127.2:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.93 +/- 0.15  99.996% * 99.8559% (1.00  10.0 10.00   4.48 127.23) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  16.94 +/- 0.81   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  20.85 +/- 0.96   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  33.47 +/- 2.10   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  32.20 +/- 1.56   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 127.2:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.68 +/- 0.15  99.971% * 99.6757% (1.00  10.0 10.00   3.91 127.23) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  10.96 +/- 0.75   0.026% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  16.64 +/- 1.19   0.002% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  20.04 +/- 1.14   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  24.88 +/- 0.87   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  26.25 +/- 1.29   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  29.54 +/- 1.01   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.2:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.12  99.988% * 98.4268% (1.00  10.0 10.00   5.00 127.23) = 100.000%  kept
        T HA    ILE   19 - HB3   GLU-  25  14.30 +/- 0.46   0.005% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB3   GLU-  25  14.15 +/- 1.33   0.007% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HB3   GLU-  25  24.67 +/- 0.74   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 127.2:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.17 127.23) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  17.40 +/- 1.18   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  21.84 +/- 0.84   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.23 +/- 0.50   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.62 +/- 0.81   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.64 +/- 1.41   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.2:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.78 +/- 0.13  99.997% * 99.8559% (1.00  10.0 10.00   4.44 127.23) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  16.64 +/- 0.96   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.05 +/- 0.90   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  33.68 +/- 2.22   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  32.43 +/- 1.65   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.2:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.35 +/- 0.13  99.985% * 99.2075% (1.00  10.0 10.00   3.87 127.23) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  10.80 +/- 1.08   0.013% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  17.29 +/- 1.67   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  26.28 +/- 1.19   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  19.93 +/- 1.17   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  24.81 +/- 0.85   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  29.94 +/- 0.91   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.2:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.16 +/- 0.20  99.997% * 99.2383% (1.00  10.0 10.00   4.31 127.23) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  14.08 +/- 1.34   0.002% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.69 +/- 0.47   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HG2   GLU-  25  25.79 +/- 0.88   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 127.2:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.93 +/- 0.15  99.994% * 99.7000% (1.00  10.0 10.00   4.48 127.23) = 100.000%  kept
          QG    GLN   17 - HG2   GLU-  25  18.56 +/- 1.19   0.002% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  17.19 +/- 0.62   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.28 +/- 0.81   0.001% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.09 +/- 0.74   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  21.93 +/- 1.17   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.2:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.78 +/- 0.13  99.966% * 99.4104% (1.00  10.0 10.00   4.44 127.23) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  11.17 +/- 0.45   0.026% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  14.31 +/- 0.63   0.006% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  19.27 +/- 1.25   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.21 +/- 0.66   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  26.89 +/- 1.11   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  27.30 +/- 1.07   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.87 +/- 1.36   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  31.57 +/- 1.44   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.2:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 99.6757% (1.00  10.0 10.00   3.31 127.23) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  12.25 +/- 0.95   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  16.79 +/- 1.55   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  20.65 +/- 1.37   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  25.84 +/- 1.08   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.63 +/- 1.31   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  31.04 +/- 0.90   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.2:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.39 +/- 0.06  99.974% * 98.4268% (1.00  10.0 10.00   3.74 127.23) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  14.88 +/- 1.22   0.016% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.05 +/- 0.50   0.009% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HG3   GLU-  25  26.55 +/- 0.76   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.17 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 127.2:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.68 +/- 0.15  99.997% * 99.7000% (1.00  10.0 10.00   3.91 127.23) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  18.85 +/- 1.22   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  18.58 +/- 0.57   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.32 +/- 0.72   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.17 +/- 0.51   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.26 +/- 1.13   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.19 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.2:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.35 +/- 0.13  99.991% * 98.6730% (1.00  10.0 10.00   3.87 127.23) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.88 +/- 0.51   0.006% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  14.91 +/- 0.56   0.002% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  19.75 +/- 1.24   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  28.01 +/- 1.09   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.53 +/- 0.72   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  28.25 +/- 0.92   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  28.74 +/- 1.37   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  32.73 +/- 1.39   0.000% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.2:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 127.23) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  17.77 +/- 0.96   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  22.69 +/- 0.93   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  35.47 +/- 2.08   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  34.22 +/- 1.53   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (2.33, 2.33, 37.82 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  25 - HG3   GLU-  25  (1.00)  kept
 
    Peak 165 (4.15, 4.15, 66.74 ppm):
    1 diagonal assignment:
    *     HA    THR   26 - HA    THR   26  (1.00)  kept
 
    Peak 166 (4.23, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.15, residual support = 35.1:
    * O T HB    THR   26 - HA    THR   26   2.86 +/- 0.05 100.000% * 99.8279% (1.00  10.0 10.00   3.15  35.06) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  24.13 +/- 1.09   0.000% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  29.91 +/- 0.78   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.46 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.15, residual support = 35.1:
    * O T QG2   THR   26 - HA    THR   26   2.85 +/- 0.28  99.967% * 99.3101% (1.00  10.0 10.00   3.15  35.06) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  11.28 +/- 0.43   0.029% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  17.77 +/- 0.76   0.002% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  22.38 +/- 2.19   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  22.83 +/- 1.30   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  27.28 +/- 1.94   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.40 +/- 0.87   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  26.53 +/- 2.22   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.18 +/- 0.69   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  26.32 +/- 1.55   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.15, residual support = 35.1:
    * O T HA    THR   26 - HB    THR   26   2.86 +/- 0.05  99.694% * 99.6617% (1.00  10.0 10.00   3.15  35.06) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.97 +/- 0.20   0.218% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.48 +/- 0.60   0.081% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  14.79 +/- 0.71   0.006% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  19.94 +/- 2.35   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HB    THR   26  21.53 +/- 0.90   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.62 +/- 1.28   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  25.05 +/- 1.11   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.43 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.1:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.00  99.985% * 99.4369% (1.00  10.0 10.00   3.00  35.06) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26   9.91 +/- 0.98   0.014% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  21.86 +/- 2.82   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  18.97 +/- 1.29   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  25.16 +/- 0.95   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  22.93 +/- 1.76   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  27.49 +/- 1.90   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  22.53 +/- 1.01   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.84 +/- 1.97   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  25.63 +/- 1.71   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.15, residual support = 35.1:
    * O T HA    THR   26 - QG2   THR   26   2.85 +/- 0.28  97.844% * 98.6211% (1.00  10.0 10.00   3.15  35.06) =  99.999%  kept
          HA    ASN   28 - QG2   THR   26   6.46 +/- 0.42   0.951% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - QG2   THR   26   6.38 +/- 0.65   1.163% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  11.23 +/- 0.45   0.031% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  19.72 +/- 1.32   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  22.78 +/- 1.26   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  16.00 +/- 2.28   0.005% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - QG2   THR   26  17.00 +/- 1.02   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.14 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.1:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.00 100.000% * 99.1149% (1.00  10.0 10.00   3.00  35.06) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  23.61 +/- 1.21   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  18.18 +/- 1.01   0.000% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 98.2:
    * O T HB2   TRP   27 - HA    TRP   27   2.91 +/- 0.04  99.976% * 99.8554% (1.00  10.0 10.00   4.44  98.18) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  11.81 +/- 0.67   0.023% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  19.47 +/- 0.74   0.001% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 98.2:
    * O T HB3   TRP   27 - HA    TRP   27   2.23 +/- 0.03  99.996% * 99.7166% (1.00  10.0 10.00   4.44  98.18) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.36 +/- 0.63   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.79 +/- 0.98   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.80 +/- 0.69   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  17.21 +/- 0.86   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  17.47 +/- 0.65   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 98.2:
    * O T HA    TRP   27 - HB2   TRP   27   2.91 +/- 0.04  99.996% * 99.7755% (1.00  10.0 10.00   4.44  98.18) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  17.62 +/- 0.94   0.002% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.63 +/- 0.51   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.58 +/- 0.68   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 98.2:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97  98.18) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  16.47 +/- 0.65   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.45 +/- 1.10   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  17.02 +/- 1.05   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  17.54 +/- 0.66   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  19.10 +/- 0.75   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 98.2:
    * O T HA    TRP   27 - HB3   TRP   27   2.23 +/- 0.03  99.999% * 99.7755% (1.00  10.0 10.00   4.44  98.18) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  16.85 +/- 0.92   0.001% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.32 +/- 0.51   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.32 +/- 0.63   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 98.2:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.996% * 99.8554% (1.00  10.0 10.00   4.97  98.18) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27   9.70 +/- 0.65   0.004% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  18.00 +/- 0.76   0.000% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 94.2:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  99.635% * 99.2152% (1.00  10.0 10.00   4.46  94.16) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.52 +/- 1.00   0.133% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28  10.03 +/- 1.33   0.121% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28   9.84 +/- 0.63   0.097% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  14.08 +/- 0.63   0.011% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  17.67 +/- 0.62   0.003% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  22.12 +/- 1.66   0.001% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 94.2:
    * O T HB3   ASN   28 - HA    ASN   28   2.42 +/- 0.04  99.636% * 99.8456% (1.00  10.0 10.00   4.20  94.16) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.23 +/- 0.31   0.363% *  0.0922% (0.92   1.0  1.00   0.02   8.24) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  21.72 +/- 2.59   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  21.70 +/- 3.25   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 94.2:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  93.172% * 99.0365% (1.00  10.0 10.00   4.46  94.16) =  99.997%  kept
          HA    THR   26 - HB2   ASN   28   5.10 +/- 0.29   4.570% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   35   6.00 +/- 0.48   1.805% *  0.0291% (0.29   1.0  1.00   0.02  18.75) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.52 +/- 1.00   0.124% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   9.21 +/- 1.86   0.270% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.21 +/- 0.25   0.023% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  14.79 +/- 2.59   0.012% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.08 +/- 0.81   0.016% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  15.49 +/- 0.72   0.006% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.49 +/- 1.32   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  27.16 +/- 1.72   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.27 +/- 1.00   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  25.61 +/- 2.07   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  25.71 +/- 4.80   0.000% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  30.65 +/- 2.21   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  27.83 +/- 1.47   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  23.71 +/- 1.20   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  31.04 +/- 2.14   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 94.2:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.969% * 99.4888% (1.00  10.0 10.00   5.40  94.16) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.01 +/- 0.28   0.025% *  0.0918% (0.92   1.0  1.00   0.02   8.24) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   9.69 +/- 0.91   0.004% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.48 +/- 1.01   0.001% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  24.34 +/- 2.44   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  21.78 +/- 3.89   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.51 +/- 2.99   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  21.32 +/- 4.89   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 94.2:
    * O T HA    ASN   28 - HB3   ASN   28   2.42 +/- 0.04  99.739% * 99.4977% (1.00  10.0 10.00   4.20  94.16) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.66 +/- 0.26   0.244% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.77 +/- 0.19   0.008% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  13.28 +/- 2.58   0.007% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.50 +/- 0.88   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  24.85 +/- 1.52   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.28 +/- 1.67   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.43 +/- 1.14   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  29.97 +/- 2.49   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 94.2:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.990% * 99.2152% (1.00  10.0 10.00   5.40  94.16) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28   9.69 +/- 0.91   0.004% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28  10.94 +/- 1.48   0.003% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  10.34 +/- 0.92   0.003% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  18.79 +/- 0.68   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  15.43 +/- 0.64   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  24.17 +/- 1.69   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.998, support = 4.66, residual support = 91.5:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.94 +/- 0.08  99.064% * 98.3644% (1.00  10.0 10.00   4.66  91.51) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   7.91 +/- 0.33   0.269% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    LYS+  33   8.55 +/- 0.69   0.186% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PHE   72 - HA    GLU-  29  14.64 +/- 0.35   0.007% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  10.34 +/- 2.46   0.229% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  13.77 +/- 0.64   0.010% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  11.10 +/- 1.77   0.067% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  13.49 +/- 1.55   0.015% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  11.08 +/- 1.22   0.046% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.58 +/- 1.12   0.033% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  14.21 +/- 2.40   0.016% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  15.73 +/- 1.15   0.005% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  16.69 +/- 0.92   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  15.49 +/- 0.50   0.005% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.80 +/- 2.29   0.017% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  21.54 +/- 1.36   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  14.60 +/- 1.65   0.009% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  15.17 +/- 0.33   0.005% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  20.68 +/- 0.96   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  23.05 +/- 0.92   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  16.53 +/- 0.51   0.003% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  25.26 +/- 1.62   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  16.50 +/- 0.56   0.003% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  21.07 +/- 0.89   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.95 +/- 0.87   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.12 +/- 0.91   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  20.92 +/- 1.03   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  23.13 +/- 1.42   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  24.55 +/- 1.39   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.12 +/- 1.94   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  21.57 +/- 0.76   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.34 +/- 2.13   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  23.97 +/- 0.65   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.27 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.842, support = 5.06, residual support = 90.9:
      O   HB3   GLU-  29 - HA    GLU-  29   2.73 +/- 0.17  30.672% * 44.2022% (0.80  10.0  1.00   5.18  91.51) =  75.379%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.42 +/- 0.16   7.798% * 55.2019% (1.00  10.0 10.00   4.83  91.51) =  23.932%  kept
          QB    GLU-  36 - HA    LYS+  33   2.42 +/- 0.22  60.370% *  0.2050% (0.13   1.0  1.00   0.56   0.02) =   0.688%  kept
          QB    GLU-  36 - HA    GLN   32   5.00 +/- 0.33   0.861% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.31 +/- 0.84   0.022% *  0.1514% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   7.87 +/- 0.49   0.054% *  0.0269% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.65 +/- 0.86   0.076% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.44 +/- 0.35   0.076% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.41 +/- 0.29   0.036% *  0.0124% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   9.00 +/- 0.27   0.024% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.52 +/- 0.16   0.009% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.00 +/- 0.29   0.001% *  0.0401% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  15.54 +/- 1.04   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  23.73 +/- 1.05   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  19.35 +/- 1.14   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  20.69 +/- 1.16   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  25.02 +/- 1.00   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  27.71 +/- 0.93   0.000% *  0.0143% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.66, residual support = 91.5:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.24 +/- 0.34  99.692% * 99.0116% (1.00  10.0 10.00   4.66  91.51) =  99.999%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.07 +/- 0.88   0.145% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    GLN   32   6.89 +/- 0.35   0.154% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  14.69 +/- 0.77   0.002% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  17.75 +/- 0.53   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  15.64 +/- 1.09   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.69 +/- 1.02   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  19.30 +/- 0.95   0.000% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  15.45 +/- 1.39   0.002% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.47 +/- 0.49   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  25.39 +/- 0.81   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.61 +/- 1.19   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  20.90 +/- 0.51   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.76 +/- 0.66   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.76 +/- 2.18   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  23.86 +/- 1.02   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.05 +/- 0.88   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.19 +/- 0.72   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.94 +/- 0.55   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  27.59 +/- 2.37   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  27.74 +/- 2.09   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.66, residual support = 91.5:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.94 +/- 0.08  99.522% * 98.1508% (1.00  10.0 10.00   4.66  91.51) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.55 +/- 0.69   0.187% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   7.91 +/- 0.33   0.270% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLU-  29  13.76 +/- 0.90   0.011% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  16.72 +/- 1.26   0.003% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  15.85 +/- 0.48   0.004% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  21.26 +/- 1.60   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  20.96 +/- 0.67   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  28.67 +/- 1.33   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  25.53 +/- 0.96   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.839, support = 4.38, residual support = 91.5:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  84.212% * 44.1051% (0.80  10.0  1.00   4.41  91.51) =  81.032%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.33 +/- 0.09  15.784% * 55.0806% (1.00  10.0 10.00   4.23  91.51) =  18.968%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  13.60 +/- 1.07   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29   9.65 +/- 0.57   0.003% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  23.30 +/- 1.21   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  17.02 +/- 0.43   0.000% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 91.5:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.82 +/- 0.18  99.990% * 99.6674% (1.00  10.0 10.00   4.00  91.51) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  15.11 +/- 0.71   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  16.80 +/- 0.67   0.003% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.43 +/- 0.91   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.84 +/- 0.89   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  27.21 +/- 2.32   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  22.71 +/- 0.76   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.66, residual support = 91.5:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.24 +/- 0.34  99.695% * 98.1508% (1.00  10.0 10.00   4.66  91.51) =  99.998%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.07 +/- 0.88   0.145% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   GLU-  29   6.89 +/- 0.35   0.154% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLU-  29  15.82 +/- 1.40   0.003% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  16.80 +/- 0.82   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  17.69 +/- 1.68   0.001% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  23.60 +/- 1.59   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  21.93 +/- 0.86   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  30.37 +/- 1.46   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  27.73 +/- 0.88   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 91.5:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.82 +/- 0.18  99.948% * 99.5124% (1.00  10.0 10.00   4.00  91.51) = 100.000%  kept
          QG    GLU-  15 - HG2   GLU-  29  14.99 +/- 2.93   0.024% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG2   GLU-  29  13.69 +/- 1.94   0.015% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  15.86 +/- 0.97   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  17.03 +/- 0.98   0.003% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  17.54 +/- 1.32   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  16.75 +/- 0.74   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  22.56 +/- 1.34   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  21.64 +/- 1.04   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.85 +/- 1.05   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  26.83 +/- 1.66   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.40 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.04, residual support = 91.5:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  95.038% * 55.3193% (1.00  10.0 10.00   4.02  91.51) =  95.992%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.89 +/- 0.12   4.955% * 44.2962% (0.80  10.0 10.00   4.41  91.51) =   4.008%  kept
        T QB    GLU-  36 - HG2   GLU-  29   8.80 +/- 0.66   0.007% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  16.49 +/- 0.62   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.67 +/- 1.00   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  24.70 +/- 1.20   0.000% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.967, support = 4.89, residual support = 155.3:
    * O T HB2   GLN   30 - HA    GLN   30   2.67 +/- 0.08  72.345% * 53.1933% (1.00  10.0 10.00   4.97 155.27) =  75.127%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.24 +/- 0.48  27.612% * 46.1414% (0.87  10.0 10.00   4.64 155.27) =  24.873%  kept
          QB    GLU-  15 - HA    GLN   30  10.11 +/- 1.36   0.033% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  19.74 +/- 0.93   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   30  15.07 +/- 1.08   0.003% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  13.01 +/- 1.09   0.006% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.62 +/- 1.41   0.001% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  21.92 +/- 1.44   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  23.44 +/- 1.51   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.52 +/- 1.61   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  27.00 +/- 2.49   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.99, support = 5.12, residual support = 153.1:
    * O T HB3   GLN   30 - HA    GLN   30   3.01 +/- 0.03  57.300% * 97.6674% (1.00  10.0 10.00   5.17 155.27) =  98.626%  kept
          QB    LYS+  33 - HA    GLN   30   3.24 +/- 0.60  42.686% *  1.8265% (0.25   1.0  1.00   1.50   0.16) =   1.374%  kept
          HB3   LYS+  38 - HA    GLN   30  13.82 +/- 0.43   0.006% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  16.54 +/- 0.81   0.002% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  18.10 +/- 0.61   0.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  21.41 +/- 0.86   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  18.71 +/- 2.38   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.54 +/- 1.10   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  24.80 +/- 0.82   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.42 +/- 1.05   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  23.70 +/- 1.35   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.06 +/- 2.70   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 155.3:
    * O T HG2   GLN   30 - HA    GLN   30   2.76 +/- 0.28  99.718% * 99.8053% (1.00  10.0 10.00   5.76 155.27) = 100.000%  kept
          HB3   ASN   28 - HA    GLN   30   7.57 +/- 0.08   0.280% *  0.0921% (0.92   1.0  1.00   0.02   8.24) =   0.000%
          HB3   HIS  122 - HA    GLN   30  20.27 +/- 3.20   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    GLN   30  22.05 +/- 2.46   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 155.3:
    * O T HA    GLN   30 - HB2   GLN   30   2.67 +/- 0.08  99.826% * 99.6678% (1.00  10.0 10.00   4.97 155.27) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   8.63 +/- 1.03   0.116% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.73 +/- 0.59   0.046% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  13.89 +/- 1.67   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  17.12 +/- 1.65   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   GLN   30  19.75 +/- 0.83   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  17.14 +/- 0.60   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  23.76 +/- 0.84   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  22.07 +/- 0.92   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 155.3:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.720% * 98.9590% (1.00  10.0 10.00   4.17 155.27) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   4.77 +/- 0.35   0.278% *  0.0247% (0.25   1.0  1.00   0.02   0.16) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  14.32 +/- 0.76   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.83 +/- 0.39   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  19.04 +/- 0.87   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.87 +/- 0.64   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  23.83 +/- 2.56   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.02 +/- 1.17   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.06 +/- 1.04   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  22.57 +/- 0.76   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  21.54 +/- 1.32   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  20.33 +/- 2.19   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.84, residual support = 155.3:
    * O T HG2   GLN   30 - HB2   GLN   30   3.02 +/- 0.06  99.679% * 99.8053% (1.00  10.0 10.00   5.84 155.27) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.90 +/- 0.17   0.317% *  0.0921% (0.92   1.0  1.00   0.02   8.24) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  20.03 +/- 2.42   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  18.19 +/- 3.20   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 155.3:
    * O T HA    GLN   30 - HB3   GLN   30   3.01 +/- 0.03  99.854% * 99.5115% (1.00  10.0 10.00   5.17 155.27) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30  10.16 +/- 1.01   0.082% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30  11.07 +/- 0.60   0.043% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  15.59 +/- 1.68   0.006% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  15.03 +/- 1.65   0.009% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB3   GLN   30  19.70 +/- 0.80   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  22.67 +/- 0.90   0.001% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  16.51 +/- 0.63   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  23.50 +/- 0.78   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.99, support = 4.22, residual support = 155.3:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  91.804% * 53.1733% (1.00  10.0 10.00   4.17 155.27) =  92.814%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.68 +/- 0.24   8.194% * 46.1240% (0.87  10.0  1.00   4.89 155.27) =   7.186%  kept
          QB    GLU-  15 - HB3   GLN   30  11.56 +/- 1.09   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  15.37 +/- 1.00   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  24.86 +/- 2.27   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  13.29 +/- 0.68   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  17.25 +/- 0.92   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  19.30 +/- 1.47   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  18.20 +/- 1.22   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.01 +/- 1.44   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.20 +/- 1.55   0.000% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (1.89, 1.89, 28.09 ppm):
    1 diagonal assignment:
    *     HB3   GLN   30 - HB3   GLN   30  (1.00)  kept
 
    Peak 219 (2.73, 1.89, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 155.3:
    * O T HG2   GLN   30 - HB3   GLN   30   2.51 +/- 0.16  99.654% * 99.8053% (1.00  10.0 10.00   5.89 155.27) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   6.53 +/- 0.12   0.345% *  0.0921% (0.92   1.0  1.00   0.02   8.24) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  20.76 +/- 2.35   0.000% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  19.40 +/- 3.03   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 155.3:
    * O T HA    GLN   30 - HG2   GLN   30   2.76 +/- 0.28  99.918% * 99.6678% (1.00  10.0 10.00   5.76 155.27) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  11.05 +/- 0.95   0.039% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  11.47 +/- 0.70   0.027% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  13.89 +/- 1.56   0.009% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  16.60 +/- 1.74   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HG2   GLN   30  20.13 +/- 0.93   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  24.06 +/- 1.03   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  18.24 +/- 0.77   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  23.06 +/- 0.86   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.873, support = 6.15, residual support = 155.3:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  96.279% * 46.1414% (0.87  10.0 10.00   6.16 155.27) =  95.738%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   3.02 +/- 0.06   3.718% * 53.1933% (1.00  10.0 10.00   5.84 155.27) =   4.262%  kept
        T HB2   PRO   93 - HG2   GLN   30  18.33 +/- 0.93   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  10.93 +/- 0.97   0.002% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.14 +/- 0.73   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  17.21 +/- 1.03   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  18.47 +/- 1.48   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  21.14 +/- 1.42   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.15 +/- 1.32   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.69 +/- 1.48   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.12 +/- 2.38   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 155.3:
    * O T HB3   GLN   30 - HG2   GLN   30   2.51 +/- 0.16  98.769% * 99.4599% (1.00  10.0 10.00   5.89 155.27) = 100.000%  kept
          QB    LYS+  33 - HG2   GLN   30   5.63 +/- 0.59   1.224% *  0.0248% (0.25   1.0  1.00   0.02   0.16) =   0.000%
          HB3   LYS+  38 - HG2   GLN   30  16.25 +/- 0.39   0.001% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.33 +/- 0.77   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.29 +/- 0.65   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  19.60 +/- 0.87   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.24 +/- 0.96   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  23.72 +/- 0.89   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  20.02 +/- 2.40   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.70 +/- 1.13   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  22.23 +/- 1.69   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.13 +/- 2.74   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 229.9:
    * O T HB2   LEU   31 - HA    LEU   31   3.02 +/- 0.01  99.550% * 99.2507% (1.00  10.0 10.00   6.00 229.93) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.54 +/- 1.08   0.285% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.13 +/- 0.45   0.072% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  10.96 +/- 0.63   0.046% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  13.29 +/- 0.57   0.014% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  14.08 +/- 0.67   0.010% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  14.22 +/- 0.61   0.009% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.41 +/- 1.03   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  15.61 +/- 0.62   0.005% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  20.69 +/- 2.93   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  19.40 +/- 0.90   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  25.65 +/- 2.02   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.14 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 229.9:
    * O T HB3   LEU   31 - HA    LEU   31   2.42 +/- 0.06  99.980% * 99.6763% (1.00  10.0 10.00   6.00 229.93) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  11.29 +/- 0.47   0.010% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.04 +/- 0.31   0.007% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  19.77 +/- 2.67   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  15.75 +/- 0.68   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.50 +/- 0.57   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.50 +/- 3.31   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  27.22 +/- 1.99   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 5.86, residual support = 228.0:
    * O T HG    LEU   31 - HA    LEU   31   3.31 +/- 0.45  53.210% * 92.6972% (0.80  10.0 10.00   5.90 229.93) =  99.136%  kept
          QD2   LEU   73 - HA    LEU   31   4.99 +/- 0.56   5.891% *  7.0929% (0.92   1.0  1.00   1.33   3.35) =   0.840%  kept
          QG1   VAL   41 - HA    LEU   31   3.48 +/- 0.69  40.895% *  0.0289% (0.25   1.0  1.00   0.02   0.02) =   0.024%
          QD1   ILE   56 - HA    LEU   31  18.07 +/- 1.66   0.003% *  0.1155% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  20.43 +/- 3.50   0.001% *  0.0655% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.12 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 229.9:
    *   T QD1   LEU   31 - HA    LEU   31   3.64 +/- 0.10 100.000% *100.0000% (1.00 10.00   4.85 229.93) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.33 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 229.9:
    *   T QD2   LEU   31 - HA    LEU   31   2.16 +/- 0.46  99.760% * 99.6345% (1.00 10.00   5.74 229.93) =  99.999%  kept
        T QG2   VAL   43 - HA    LEU   31   7.12 +/- 0.57   0.202% *  0.2484% (0.25 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HA    LEU   31  10.01 +/- 0.71   0.028% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  11.93 +/- 0.61   0.010% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 229.9:
    * O T HA    LEU   31 - HB2   LEU   31   3.02 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 229.93) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 229.9:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.995% * 99.6763% (1.00  10.0 10.00   6.00 229.93) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   9.74 +/- 0.52   0.004% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.89 +/- 0.25   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.74 +/- 2.59   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  16.83 +/- 0.80   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.43 +/- 0.69   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  23.20 +/- 3.27   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.77 +/- 1.88   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.93, residual support = 229.9:
    * O T HG    LEU   31 - HB2   LEU   31   2.57 +/- 0.31  96.123% * 99.6594% (0.80  10.0 10.00   5.93 229.93) =  99.998%  kept
          QG1   VAL   41 - HB2   LEU   31   4.93 +/- 0.64   3.486% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB2   LEU   31   6.71 +/- 0.29   0.389% *  0.1149% (0.92   1.0  1.00   0.02   3.35) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  19.24 +/- 1.78   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  22.06 +/- 3.50   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 229.9:
    * O T QD1   LEU   31 - HB2   LEU   31   2.49 +/- 0.21 100.000% *100.0000% (1.00  10.0 10.00   4.87 229.93) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 229.9:
    * O T QD2   LEU   31 - HB2   LEU   31   2.93 +/- 0.37  99.188% * 99.6345% (1.00  10.0 10.00   5.76 229.93) =  99.998%  kept
        T QG2   VAL   43 - HB2   LEU   31   7.26 +/- 0.72   0.599% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB2   LEU   31   8.73 +/- 0.74   0.182% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  11.62 +/- 0.67   0.031% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 229.9:
    * O T HA    LEU   31 - HB3   LEU   31   2.42 +/- 0.06 100.000% *100.0000% (1.00  10.0 10.00   6.00 229.93) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 229.9:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.971% * 99.2507% (1.00  10.0 10.00   6.00 229.93) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   7.78 +/- 1.24   0.023% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.34 +/- 0.71   0.003% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  11.00 +/- 0.79   0.002% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  13.69 +/- 0.78   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  14.20 +/- 0.84   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  13.67 +/- 0.70   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  14.49 +/- 0.72   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  17.67 +/- 1.08   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  21.56 +/- 2.96   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  19.87 +/- 1.12   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  25.55 +/- 2.26   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 229.9:
    * O T HG    LEU   31 - HB3   LEU   31   2.67 +/- 0.31  77.445% * 98.0242% (0.80  10.0 10.00   5.92 229.93) =  99.985%  kept
          QG1   VAL   41 - HB3   LEU   31   3.50 +/- 0.68  22.127% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.009%
        T QD2   LEU   73 - HB3   LEU   31   6.64 +/- 0.36   0.426% *  1.1301% (0.92   1.0 10.00   0.02   3.35) =   0.006%
        T HG3   LYS+ 121 - HB3   LEU   31  20.59 +/- 3.69   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  18.65 +/- 1.87   0.001% *  0.1221% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 229.9:
    * O T QD1   LEU   31 - HB3   LEU   31   2.38 +/- 0.43 100.000% *100.0000% (1.00  10.0 10.00   4.87 229.93) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 229.9:
    * O T QD2   LEU   31 - HB3   LEU   31   2.84 +/- 0.22  99.349% * 99.6345% (1.00  10.0 10.00   5.76 229.93) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.09 +/- 0.72   0.513% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB3   LEU   31   9.28 +/- 0.75   0.107% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  11.33 +/- 0.65   0.030% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.9, residual support = 229.9:
    * O T HA    LEU   31 - HG    LEU   31   3.31 +/- 0.45 100.000% *100.0000% (0.80  10.0 10.00   5.90 229.93) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 5.93, residual support = 229.9:
    * O T HB2   LEU   31 - HG    LEU   31   2.57 +/- 0.31  99.466% * 99.2507% (0.80  10.0 10.00   5.93 229.93) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   7.77 +/- 1.48   0.460% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  11.45 +/- 0.97   0.015% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  12.42 +/- 1.25   0.015% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  12.44 +/- 0.89   0.011% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.58 +/- 0.76   0.011% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  11.92 +/- 0.67   0.012% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  13.40 +/- 0.62   0.007% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  16.73 +/- 1.20   0.002% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  17.97 +/- 1.22   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  21.77 +/- 2.62   0.000% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.28 +/- 2.19   0.000% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 229.9:
    * O T HB3   LEU   31 - HG    LEU   31   2.67 +/- 0.31  99.870% * 99.4283% (0.80  10.0 10.00   5.92 229.93) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   9.24 +/- 0.96   0.105% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  11.98 +/- 0.62   0.018% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  21.67 +/- 3.39   0.000% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  19.82 +/- 2.63   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.11 +/- 1.05   0.003% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.62 +/- 0.94   0.003% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  26.65 +/- 2.01   0.000% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.9, residual support = 229.9:
    * O T QD1   LEU   31 - HG    LEU   31   2.11 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.90 229.93) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.8, residual support = 229.9:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  99.486% * 99.6345% (0.80  10.0 10.00   5.80 229.93) =  99.999%  kept
        T QG2   VAL   43 - HG    LEU   31   5.43 +/- 0.72   0.446% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG    LEU   31   7.59 +/- 0.84   0.058% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31   9.94 +/- 0.69   0.010% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 229.9:
    *   T HA    LEU   31 - QD1   LEU   31   3.64 +/- 0.10 100.000% *100.0000% (1.00 10.00   4.85 229.93) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 229.9:
    * O T HB2   LEU   31 - QD1   LEU   31   2.49 +/- 0.21  98.740% * 99.2507% (1.00  10.0 10.00   4.87 229.93) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   6.04 +/- 0.99   1.073% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD1   LEU   31   9.17 +/- 0.61   0.048% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  10.44 +/- 0.81   0.025% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  10.47 +/- 0.94   0.023% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31   9.45 +/- 0.54   0.040% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.82 +/- 0.74   0.020% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  10.42 +/- 0.64   0.023% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.23 +/- 1.03   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  14.88 +/- 1.12   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.35 +/- 1.88   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  19.88 +/- 1.74   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 229.9:
    * O T HB3   LEU   31 - QD1   LEU   31   2.38 +/- 0.43  99.538% * 99.6763% (1.00  10.0 10.00   4.87 229.93) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   7.53 +/- 0.75   0.412% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  10.50 +/- 0.61   0.033% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  16.61 +/- 2.15   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.41 +/- 0.80   0.008% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.83 +/- 0.69   0.006% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.89 +/- 2.70   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  22.16 +/- 1.50   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.9, residual support = 229.9:
    * O T HG    LEU   31 - QD1   LEU   31   2.11 +/- 0.02  95.495% * 99.6594% (0.80  10.0 10.00   4.90 229.93) =  99.998%  kept
          QG1   VAL   41 - QD1   LEU   31   4.00 +/- 0.64   4.030% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD1   LEU   31   5.44 +/- 0.64   0.474% *  0.1149% (0.92   1.0  1.00   0.02   3.35) =   0.001%
          QD1   ILE   56 - QD1   LEU   31  14.51 +/- 1.68   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  16.92 +/- 2.92   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 229.9:
    * O T QD2   LEU   31 - QD1   LEU   31   2.07 +/- 0.06  97.672% * 99.6345% (1.00  10.0 10.00   4.62 229.93) =  99.995%  kept
        T QG2   VAL   43 - QD1   LEU   31   4.24 +/- 0.79   2.048% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   83 - QD1   LEU   31   5.81 +/- 0.55   0.239% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31   7.74 +/- 0.65   0.041% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 229.9:
    *   T HA    LEU   31 - QD2   LEU   31   2.16 +/- 0.46  99.798% * 99.9324% (1.00 10.00   5.74 229.93) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.12 +/- 0.57   0.202% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 229.9:
    * O T HB2   LEU   31 - QD2   LEU   31   2.93 +/- 0.37  90.589% * 98.7715% (1.00  10.0 10.00   5.76 229.93) =  99.997%  kept
          HG    LEU   98 - QD2   LEU   31   6.53 +/- 1.10   2.106% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - QG2   VAL   43   7.26 +/- 0.72   0.533% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31   9.92 +/- 0.62   0.068% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.72 +/- 0.32   2.156% *  0.0054% (0.05   1.0  1.00   0.02  15.22) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31   9.35 +/- 0.70   0.125% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD2   LEU   31   9.45 +/- 0.86   0.093% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.19 +/- 0.92   0.078% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   6.63 +/- 0.65   0.979% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.30 +/- 1.01   1.684% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.51 +/- 0.81   0.063% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   6.43 +/- 0.46   1.048% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  12.84 +/- 1.11   0.020% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  11.47 +/- 0.44   0.029% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   8.25 +/- 0.50   0.221% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  14.22 +/- 0.88   0.009% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.70 +/- 0.84   0.052% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.54 +/- 0.89   0.106% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.46 +/- 2.15   0.003% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  19.79 +/- 1.71   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.23 +/- 0.40   0.021% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.40 +/- 1.25   0.006% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.66 +/- 0.61   0.007% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.05 +/- 1.28   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 229.9:
    * O T HB3   LEU   31 - QD2   LEU   31   2.84 +/- 0.22  98.172% * 99.5873% (1.00  10.0 10.00   5.76 229.93) =  99.999%  kept
        T HB3   LEU   31 - QG2   VAL   43   7.09 +/- 0.72   0.507% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD2   LEU   31   7.91 +/- 0.65   0.315% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.02 +/- 0.31   0.107% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   7.63 +/- 0.84   0.414% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.77 +/- 0.57   0.134% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  15.59 +/- 2.17   0.005% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.07 +/- 0.68   0.018% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.47 +/- 0.55   0.015% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   9.01 +/- 0.73   0.164% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.09 +/- 0.66   0.123% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.94 +/- 1.90   0.016% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.53 +/- 2.44   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  21.37 +/- 1.65   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.69 +/- 2.02   0.006% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  17.53 +/- 1.49   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.8, residual support = 229.9:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  82.262% * 99.5693% (0.80  10.0 10.00   5.80 229.93) =  99.990%  kept
          QD2   LEU   73 - QD2   LEU   31   3.65 +/- 0.36   3.744% *  0.1148% (0.92   1.0  1.00   0.02   3.35) =   0.005%
          QG1   VAL   41 - QD2   LEU   31   3.65 +/- 0.91  11.146% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   31 - QG2   VAL   43   5.43 +/- 0.72   0.363% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - QG2   VAL   43   5.03 +/- 0.83   2.364% *  0.0078% (0.06   1.0  1.00   0.02   8.77) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.39 +/- 0.41   0.111% *  0.0021% (0.02   1.0  1.00   0.02   1.29) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  13.82 +/- 1.54   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.50 +/- 1.40   0.007% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.64 +/- 2.62   0.000% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.87 +/- 2.27   0.001% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 229.9:
    * O T QD1   LEU   31 - QD2   LEU   31   2.07 +/- 0.06  97.946% * 99.9324% (1.00  10.0 10.00   4.62 229.93) =  99.999%  kept
        T QD1   LEU   31 - QG2   VAL   43   4.24 +/- 0.79   2.054% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.685, support = 3.02, residual support = 42.4:
    * O T QB    GLN   32 - HA    GLN   32   2.46 +/- 0.06  60.170% * 48.6885% (0.69  10.0 10.00   2.96  44.35) =  94.298%  kept
        T QB    GLN   32 - HA    LYS+  33   4.00 +/- 0.10   3.305% * 50.1038% (0.71   1.0 10.00   4.38  11.53) =   5.330%  kept
        T QB    GLN   32 - HA    GLU-  29   2.73 +/- 0.34  36.483% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.372%
          HG3   GLU- 100 - HA    GLN   32  11.35 +/- 1.36   0.008% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLU-  29  10.62 +/- 0.46   0.010% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  11.89 +/- 1.27   0.006% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  11.59 +/- 1.54   0.010% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.23 +/- 0.40   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  16.70 +/- 1.68   0.001% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.74 +/- 0.46   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  15.91 +/- 1.12   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  19.54 +/- 1.31   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  15.59 +/- 1.42   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  14.63 +/- 1.34   0.002% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.49 +/- 1.39   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  28.35 +/- 1.01   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  29.06 +/- 1.18   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  29.29 +/- 1.27   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  27.70 +/- 1.25   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  30.29 +/- 1.31   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  28.80 +/- 0.90   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.686, support = 2.99, residual support = 43.5:
    * O T QG    GLN   32 - HA    GLN   32   2.31 +/- 0.17  80.199% * 48.7402% (0.69  10.0 10.00   2.96  44.35) =  97.563%  kept
        T QG    GLN   32 - HA    LYS+  33   4.88 +/- 0.71   1.833% * 50.1570% (0.71   1.0 10.00   4.38  11.53) =   2.295%  kept
        T QG    GLN   32 - HA    GLU-  29   3.79 +/- 1.10  17.956% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.142%
        T HB2   GLU- 100 - HA    GLN   32  11.97 +/- 0.97   0.004% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  13.25 +/- 0.91   0.002% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  13.46 +/- 0.90   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  16.65 +/- 0.73   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  17.15 +/- 1.05   0.001% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.33 +/- 1.01   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.19 +/- 0.72   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  17.75 +/- 0.53   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.94 +/- 0.55   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.47 +/- 0.49   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  29.89 +/- 1.09   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.76 +/- 0.66   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  20.90 +/- 0.51   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  30.82 +/- 1.36   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  27.59 +/- 2.37   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  27.74 +/- 2.09   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.76 +/- 2.18   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  29.87 +/- 1.15   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.693, support = 3.02, residual support = 42.2:
    * O T HA    GLN   32 - QB    GLN   32   2.46 +/- 0.06  60.194% * 46.7473% (0.69  10.0 10.00   2.96  44.35) =  93.543%  kept
        T HA    LYS+  33 - QB    GLN   32   4.00 +/- 0.10   3.306% * 52.0093% (0.76   1.0 10.00   4.38  11.53) =   5.716%  kept
        T HA    GLU-  29 - QB    GLN   32   2.73 +/- 0.34  36.493% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.740%  kept
          HA    VAL   18 - QB    GLN   32  13.84 +/- 0.70   0.002% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  12.59 +/- 0.31   0.003% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  17.63 +/- 1.41   0.000% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  25.59 +/- 0.63   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  19.68 +/- 0.96   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  22.81 +/- 1.10   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  25.80 +/- 1.10   0.000% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.4:
    * O T QG    GLN   32 - QB    GLN   32   2.12 +/- 0.03  99.996% * 99.7611% (1.00  10.0 10.00   3.00  44.35) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  14.25 +/- 0.97   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  12.96 +/- 0.84   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  17.38 +/- 0.56   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.72 +/- 0.65   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  25.30 +/- 1.97   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  27.65 +/- 1.15   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 2.98, residual support = 43.4:
    * O T HA    GLN   32 - QG    GLN   32   2.31 +/- 0.17  80.206% * 46.7583% (0.69  10.0 10.00   2.96  44.35) =  97.243%  kept
        T HA    LYS+  33 - QG    GLN   32   4.88 +/- 0.71   1.833% * 52.0216% (0.76   1.0 10.00   4.38  11.53) =   2.473%  kept
        T HA    GLU-  29 - QG    GLN   32   3.79 +/- 1.10  17.957% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.284%
          HA    VAL   70 - QG    GLN   32  13.32 +/- 0.28   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  15.18 +/- 0.79   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  17.93 +/- 1.27   0.000% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  26.50 +/- 1.19   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  19.81 +/- 1.25   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  23.91 +/- 1.76   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  26.54 +/- 1.08   0.000% *  0.0331% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.4:
    * O T QB    GLN   32 - QG    GLN   32   2.12 +/- 0.03  99.992% * 99.6746% (1.00  10.0 10.00   3.00  44.35) = 100.000%  kept
          HB    VAL   24 - QG    GLN   32  12.38 +/- 1.22   0.003% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG    GLN   32  12.00 +/- 1.17   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  14.19 +/- 1.38   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  18.99 +/- 1.24   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  27.04 +/- 1.31   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  27.30 +/- 1.15   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 150.5:
    * O T QB    LYS+  33 - HA    LYS+  33   2.19 +/- 0.03  98.629% * 96.5845% (1.00  10.0 10.00   6.20 150.46) =  99.997%  kept
        T QB    LYS+  33 - HA    GLN   32   5.29 +/- 0.19   0.497% *  0.2484% (0.26   1.0 10.00   0.02  11.53) =   0.001%
        T QB    LYS+  33 - HA    GLU-  29   5.79 +/- 0.81   0.420% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.63 +/- 0.09   0.342% *  0.0067% (0.07   1.0  1.00   0.02  19.50) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   8.23 +/- 0.26   0.035% *  0.0241% (0.25   1.0  1.00   0.02   0.16) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.96 +/- 0.26   0.011% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.67 +/- 0.17   0.054% *  0.0062% (0.06   1.0  1.00   0.02   1.52) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  17.64 +/- 0.65   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  22.60 +/- 0.69   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.96 +/- 0.14   0.006% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  17.69 +/- 1.24   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  20.36 +/- 0.73   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  18.85 +/- 0.70   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  19.03 +/- 0.70   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  16.49 +/- 1.07   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.89 +/- 0.98   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.26 +/- 0.99   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.54 +/- 0.24   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  18.32 +/- 0.76   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.16 +/- 0.83   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.12 +/- 1.01   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.14 +/- 1.11   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.08 +/- 1.01   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  22.19 +/- 0.99   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.11 +/- 1.14   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  28.04 +/- 1.15   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.81 +/- 2.66   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  24.22 +/- 1.32   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.45 +/- 1.09   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  28.91 +/- 0.87   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  25.42 +/- 1.11   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.21 +/- 0.91   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  26.59 +/- 2.65   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.20 +/- 2.65   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  26.25 +/- 0.82   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.87 +/- 1.26   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.94 +/- 2.37   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  27.42 +/- 1.49   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  23.29 +/- 0.83   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  24.90 +/- 0.93   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  27.54 +/- 2.48   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  29.23 +/- 1.77   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.995, support = 5.99, residual support = 149.5:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.11 +/- 0.26  94.365% * 76.3092% (1.00  10.0 10.00   6.00 150.46) =  99.322%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.45 +/- 0.73   2.478% * 19.6245% (0.26   1.0 10.00   4.19  11.53) =   0.671%  kept
        T HG3   LYS+  33 - HA    GLU-  29   7.71 +/- 1.60   2.479% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   12 - HA    LYS+  33  11.61 +/- 2.39   0.083% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  33  17.81 +/- 2.10   0.004% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  11.74 +/- 0.75   0.037% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  15.43 +/- 2.32   0.011% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  12.35 +/- 0.30   0.026% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  10.07 +/- 0.63   0.094% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.69 +/- 0.64   0.037% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.85 +/- 0.79   0.108% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  11.43 +/- 0.56   0.042% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.17 +/- 0.55   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  22.47 +/- 1.12   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  19.36 +/- 1.95   0.002% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  12.87 +/- 0.33   0.020% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  14.74 +/- 2.61   0.021% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.39 +/- 0.73   0.026% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  13.88 +/- 0.46   0.013% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  19.38 +/- 0.87   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  15.12 +/- 2.52   0.013% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.18 +/- 0.68   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.98 +/- 1.26   0.015% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  11.88 +/- 1.43   0.048% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.31 +/- 0.73   0.005% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  24.49 +/- 1.30   0.000% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  24.64 +/- 1.00   0.000% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.04 +/- 0.28   0.012% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  13.59 +/- 0.86   0.015% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.20 +/- 1.10   0.013% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  15.07 +/- 0.49   0.008% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  18.84 +/- 0.63   0.002% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.79 +/- 0.82   0.002% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  16.68 +/- 0.43   0.004% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  16.74 +/- 0.69   0.004% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  16.62 +/- 0.77   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  25.30 +/- 3.22   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  24.56 +/- 0.85   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  32.15 +/- 2.33   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  22.77 +/- 1.07   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  23.91 +/- 1.03   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  24.78 +/- 3.33   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.19 +/- 2.22   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  31.94 +/- 2.15   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  27.01 +/- 2.66   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 150.4:
    *   T QD    LYS+  33 - HA    LYS+  33   3.39 +/- 0.76  96.724% * 97.7340% (1.00 10.00   4.79 150.46) =  99.991%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.91 +/- 1.64   1.642% *  0.2729% (0.28 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HA    GLN   32   6.72 +/- 1.46   1.591% *  0.2513% (0.26 10.00   0.02  11.53) =   0.004%
          HD2   LYS+  74 - HA    LYS+  33  17.31 +/- 1.12   0.010% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  15.83 +/- 0.51   0.015% *  0.0154% (0.16  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  32.72 +/- 1.88   0.000% *  0.8765% (0.90 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  22.81 +/- 1.00   0.002% *  0.0848% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  17.78 +/- 0.58   0.008% *  0.0142% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  26.75 +/- 3.11   0.001% *  0.0977% (1.00  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  31.50 +/- 1.95   0.000% *  0.2254% (0.23 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  31.99 +/- 1.59   0.000% *  0.2447% (0.25 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.41 +/- 1.06   0.002% *  0.0237% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  23.43 +/- 1.12   0.002% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.75 +/- 2.97   0.001% *  0.0251% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  29.73 +/- 2.20   0.000% *  0.0273% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.31 +/- 2.65   0.000% *  0.0193% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.56 +/- 2.66   0.000% *  0.0054% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.36 +/- 2.40   0.000% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.17 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.717, support = 4.78, residual support = 104.3:
    *   T QE    LYS+  33 - HA    LYS+  33   3.98 +/- 0.48  20.882% * 59.4562% (1.00 10.00   5.44 150.46) =  64.287%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.78 +/- 0.08  24.517% * 16.2708% (0.27 10.00   4.70  32.53) =  20.656%  kept
        T HB2   ASN   35 - HA    GLN   32   3.47 +/- 0.73  48.550% *  5.2157% (0.09 10.00   2.17   6.57) =  13.112%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.57 +/- 0.34   2.201% * 16.7906% (0.34 10.00   1.66   0.92) =   1.913%  kept
        T QE    LYS+  33 - HA    GLU-  29   7.66 +/- 1.81   2.520% *  0.1660% (0.28 10.00   0.02   0.02) =   0.022%
        T QE    LYS+  33 - HA    GLN   32   7.32 +/- 0.87   0.572% *  0.1529% (0.26 10.00   0.02  11.53) =   0.005%
        T HB2   ASN   28 - HA    GLN   32   7.36 +/- 0.31   0.469% *  0.1499% (0.25 10.00   0.02   0.02) =   0.004%
        T HB2   ASN   28 - HA    LYS+  33  10.23 +/- 0.50   0.069% *  0.5828% (0.98 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HA    GLU-  29   8.55 +/- 0.71   0.166% *  0.0566% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  21.33 +/- 1.43   0.001% *  0.5332% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  12.61 +/- 0.94   0.020% *  0.0092% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.77 +/- 0.65   0.003% *  0.0370% (0.06 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  21.19 +/- 0.69   0.001% *  0.1324% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  14.48 +/- 0.68   0.008% *  0.0114% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  23.09 +/- 1.71   0.001% *  0.1489% (0.25 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  23.35 +/- 1.36   0.001% *  0.1371% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  18.92 +/- 0.78   0.002% *  0.0408% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  15.47 +/- 0.99   0.006% *  0.0105% (0.18  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  20.24 +/- 0.72   0.001% *  0.0340% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  15.53 +/- 0.94   0.006% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.26 +/- 0.81   0.000% *  0.0385% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.50 +/- 0.72   0.001% *  0.0107% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  18.05 +/- 0.85   0.002% *  0.0026% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.07 +/- 0.59   0.000% *  0.0099% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 150.5:
    * O T HA    LYS+  33 - QB    LYS+  33   2.19 +/- 0.03  98.691% * 98.1731% (1.00  10.0 10.00   6.20 150.46) =  99.994%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.79 +/- 0.81   0.421% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - QB    LYS+  33   5.29 +/- 0.19   0.497% *  0.2730% (0.28   1.0 10.00   0.02  11.53) =   0.001%
          HB2   SER   37 - QB    LYS+  33   6.12 +/- 0.93   0.359% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.11 +/- 0.56   0.021% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  10.40 +/- 0.98   0.011% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  19.96 +/- 1.31   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  24.54 +/- 0.89   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.38 +/- 1.06   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.05 +/- 1.32   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  21.19 +/- 0.60   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 150.5:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.48 +/- 0.09  99.802% * 96.3761% (1.00  10.0 10.00   6.20 150.46) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33  10.28 +/- 0.62   0.022% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   8.67 +/- 0.81   0.068% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33   9.78 +/- 2.00   0.056% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33   9.68 +/- 0.42   0.029% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  16.46 +/- 1.63   0.001% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  18.36 +/- 1.11   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.25 +/- 0.56   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  12.51 +/- 0.75   0.007% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.10 +/- 1.02   0.009% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  15.77 +/- 0.66   0.002% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  15.41 +/- 0.90   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  20.22 +/- 0.79   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  27.26 +/- 2.13   0.000% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  21.90 +/- 2.71   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 150.5:
    * O T QD    LYS+  33 - QB    LYS+  33   2.24 +/- 0.27  99.996% * 97.3258% (1.00  10.0 10.00   5.07 150.46) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  13.44 +/- 1.06   0.003% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  22.99 +/- 2.38   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  18.76 +/- 0.92   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.03 +/- 1.52   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.01 +/- 2.46   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 150.5:
    *   T QE    LYS+  33 - QB    LYS+  33   2.84 +/- 0.64  98.469% * 98.6189% (1.00 10.00   5.64 150.46) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.58 +/- 0.50   1.206% *  0.0336% (0.34  1.00   0.02   0.92) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   8.64 +/- 0.70   0.243% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  17.50 +/- 1.45   0.003% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  10.82 +/- 0.83   0.069% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  17.12 +/- 0.78   0.004% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  16.18 +/- 0.75   0.005% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  20.80 +/- 0.86   0.001% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 150.4:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.11 +/- 0.26  84.987% * 93.2464% (1.00  10.0 10.00   6.00 150.46) =  99.961%  kept
        T HA    GLU-  29 - HG3   LYS+  33   7.71 +/- 1.60   2.454% *  0.8999% (0.97   1.0 10.00   0.02   0.02) =   0.028%
        T HA    GLN   32 - HG3   LYS+  33   6.45 +/- 0.73   2.408% *  0.2593% (0.28   1.0 10.00   0.02  11.53) =   0.008%
          HB2   SER   37 - HG3   LYS+  33   5.49 +/- 1.74   9.633% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   18 - HG3   LYS+  65  10.13 +/- 1.96   0.204% *  0.0762% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  33   9.17 +/- 1.12   0.150% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  11.68 +/- 1.16   0.041% *  0.0882% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  17.81 +/- 2.10   0.004% *  0.4632% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  15.43 +/- 2.32   0.010% *  0.1288% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  13.65 +/- 1.56   0.015% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  13.79 +/- 0.88   0.013% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  19.36 +/- 1.95   0.002% *  0.4470% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.58 +/- 1.20   0.015% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.17 +/- 0.55   0.001% *  0.5925% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  22.47 +/- 1.12   0.001% *  0.8052% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.18 +/- 0.68   0.001% *  0.5718% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  14.97 +/- 0.73   0.008% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  13.10 +/- 1.09   0.019% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  24.49 +/- 1.30   0.000% *  0.7771% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.26 +/- 1.20   0.008% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.38 +/- 0.87   0.002% *  0.1647% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.10 +/- 1.01   0.002% *  0.0914% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  18.02 +/- 0.65   0.003% *  0.0561% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.64 +/- 1.00   0.000% *  0.2239% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.43 +/- 1.74   0.002% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  23.28 +/- 1.71   0.001% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.65 +/- 1.90   0.005% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  21.13 +/- 0.80   0.001% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.96 +/- 0.98   0.001% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  18.91 +/- 1.66   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.32 +/- 1.89   0.001% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  19.41 +/- 1.66   0.002% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  20.07 +/- 1.28   0.001% *  0.0179% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  25.58 +/- 1.51   0.000% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.28 +/- 1.88   0.000% *  0.0491% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.48 +/- 0.67   0.001% *  0.0312% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.26 +/- 0.78   0.001% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  24.77 +/- 1.50   0.000% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.13 +/- 1.09   0.001% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  30.12 +/- 2.05   0.000% *  0.0722% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.69 +/- 1.46   0.000% *  0.0249% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  27.76 +/- 1.20   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.52 +/- 1.23   0.000% *  0.0244% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.98 +/- 1.34   0.000% *  0.0071% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.838, support = 6.1, residual support = 144.6:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.48 +/- 0.09  45.918% * 60.0127% (1.00  10.0 10.00   6.20 150.46) =  59.286%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.43 +/- 0.03  52.458% * 36.0742% (0.60  10.0 10.00   5.95 136.19) =  40.713%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.03 +/- 0.23   0.677% *  0.0374% (0.62   1.0  1.00   0.02  23.13) =   0.001%
          HB    ILE  103 - HG3   LYS+ 106   5.70 +/- 0.48   0.347% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+ 102   6.30 +/- 1.02   0.373% *  0.0282% (0.47   1.0  1.00   0.02  22.39) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   7.34 +/- 1.40   0.170% *  0.0150% (0.25   1.0  1.00   0.02   0.16) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.57 +/- 1.13   0.006% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.90 +/- 1.56   0.011% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.01 +/- 1.27   0.014% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  17.79 +/- 0.77   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  16.46 +/- 1.63   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  17.52 +/- 1.08   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  18.36 +/- 1.11   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.25 +/- 0.56   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.42 +/- 1.23   0.004% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  13.57 +/- 1.77   0.003% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  12.55 +/- 2.20   0.005% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  15.63 +/- 1.40   0.001% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  15.25 +/- 1.01   0.001% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.31 +/- 1.49   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.33 +/- 1.71   0.003% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.26 +/- 2.48   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.20 +/- 1.13   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.57 +/- 0.79   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  18.24 +/- 2.27   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.43 +/- 1.18   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.74 +/- 0.82   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  19.98 +/- 2.51   0.000% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.28 +/- 1.95   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  22.06 +/- 1.35   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  15.14 +/- 0.53   0.001% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.81 +/- 1.70   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.18 +/- 0.80   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.59 +/- 0.50   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.88 +/- 1.39   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.95 +/- 1.12   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  19.43 +/- 1.37   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.89 +/- 1.52   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.11 +/- 1.65   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  25.16 +/- 1.61   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  23.31 +/- 1.38   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  23.75 +/- 1.15   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.84 +/- 1.33   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  27.13 +/- 1.36   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  26.91 +/- 2.04   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  20.18 +/- 2.18   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.74 +/- 2.72   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.44 +/- 1.02   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.54 +/- 3.16   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.04 +/- 3.28   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.41 +/- 2.32   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  24.74 +/- 0.98   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.52 +/- 1.86   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.32 +/- 1.30   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.54 +/- 1.21   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.39 +/- 1.81   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 150.5:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.38 +/- 0.17  99.912% * 94.8130% (1.00  10.0 10.00   4.55 150.46) = 100.000%  kept
        T HD3   LYS+ 111 - HG3   LYS+ 106  13.57 +/- 2.48   0.013% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  65   8.82 +/- 1.17   0.055% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  17.70 +/- 1.69   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.56 +/- 1.62   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  12.59 +/- 2.00   0.008% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  14.57 +/- 1.94   0.003% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.12 +/- 0.78   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  22.80 +/- 2.17   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  15.37 +/- 1.36   0.002% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  16.92 +/- 2.49   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.39 +/- 1.31   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.16 +/- 2.69   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  16.53 +/- 1.13   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.05 +/- 1.89   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.97 +/- 0.95   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  21.74 +/- 3.97   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  17.10 +/- 1.60   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  24.81 +/- 3.66   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.99 +/- 1.37   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.68 +/- 1.04   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.14 +/- 1.78   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  29.27 +/- 2.64   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  31.92 +/- 1.88   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.879, support = 4.65, residual support = 158.2:
      O T QE    LYS+  65 - HG3   LYS+  65   2.39 +/- 0.48  59.637% * 42.3520% (0.77  10.0 10.00   4.29 164.95) =  53.442%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.72 +/- 0.64  40.237% * 54.6859% (1.00  10.0 10.00   5.07 150.46) =  46.558%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.24 +/- 0.56   0.088% *  0.0187% (0.34   1.0  1.00   0.02   0.92) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.81 +/- 1.62   0.015% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.63 +/- 1.80   0.000% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.16 +/- 1.36   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.81 +/- 2.09   0.000% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  10.81 +/- 2.10   0.012% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.48 +/- 1.25   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.71 +/- 0.82   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.99 +/- 1.06   0.002% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  13.63 +/- 2.50   0.003% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  19.98 +/- 1.26   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  20.89 +/- 2.02   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  20.23 +/- 0.57   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.13 +/- 1.10   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.72 +/- 1.20   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  14.84 +/- 1.62   0.001% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.97 +/- 1.48   0.001% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.07 +/- 1.88   0.000% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.04 +/- 0.80   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.06 +/- 1.18   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.10 +/- 1.60   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.77 +/- 2.15   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.58 +/- 0.69   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  26.28 +/- 1.10   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.48 +/- 1.47   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.01 +/- 1.72   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.02 +/- 1.10   0.000% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.33 +/- 1.54   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  25.07 +/- 1.01   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.31 +/- 0.94   0.000% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 150.4:
    *   T HA    LYS+  33 - QD    LYS+  33   3.39 +/- 0.76  86.376% * 96.0049% (1.00 10.00   4.79 150.46) =  99.975%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.91 +/- 1.64   1.476% *  0.9265% (0.97 10.00   0.02   0.02) =   0.016%
        T HA    GLN   32 - QD    LYS+  33   6.72 +/- 1.46   1.420% *  0.2669% (0.28 10.00   0.02  11.53) =   0.005%
          HB2   SER   37 - QD    LYS+  33   6.11 +/- 1.09   9.219% *  0.0214% (0.22  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QD    LYS+  33   9.98 +/- 1.90   0.700% *  0.0908% (0.95  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QD    LYS+  33   8.99 +/- 1.40   0.682% *  0.0833% (0.87  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HD3   LYS+ 111  11.71 +/- 1.00   0.086% *  0.0746% (0.78  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.91 +/- 1.34   0.020% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  20.99 +/- 1.60   0.002% *  0.0861% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  31.99 +/- 1.59   0.000% *  0.8303% (0.86 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  18.21 +/- 1.26   0.006% *  0.0266% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  32.72 +/- 1.88   0.000% *  0.8603% (0.90 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  23.44 +/- 1.97   0.002% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.95 +/- 2.40   0.001% *  0.0746% (0.78  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  22.24 +/- 1.54   0.002% *  0.0505% (0.53  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  24.59 +/- 1.60   0.001% *  0.0814% (0.85  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  22.00 +/- 0.79   0.002% *  0.0453% (0.47  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.50 +/- 1.95   0.000% *  0.2392% (0.25 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  22.30 +/- 0.83   0.002% *  0.0296% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  26.66 +/- 1.16   0.001% *  0.0772% (0.80  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  24.83 +/- 1.21   0.001% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.64 +/- 2.18   0.000% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 150.5:
    * O T QB    LYS+  33 - QD    LYS+  33   2.24 +/- 0.27  99.674% * 94.1852% (1.00  10.0 10.00   5.07 150.46) = 100.000%  kept
          QB    LYS+ 106 - HD3   LYS+ 111  11.06 +/- 1.98   0.076% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  33   6.87 +/- 0.71   0.205% *  0.0235% (0.25   1.0  1.00   0.02   0.16) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  14.40 +/- 1.78   0.002% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.82 +/- 2.41   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.50 +/- 0.58   0.012% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  11.59 +/- 2.52   0.009% *  0.0478% (0.51   1.0  1.00   0.02   2.20) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.03 +/- 2.11   0.004% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  11.50 +/- 1.82   0.009% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  25.32 +/- 3.91   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.05 +/- 1.39   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  15.83 +/- 1.40   0.001% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  25.54 +/- 2.44   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  16.80 +/- 0.83   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  18.83 +/- 2.30   0.001% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.03 +/- 0.74   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  13.99 +/- 1.11   0.003% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.48 +/- 1.28   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.03 +/- 1.52   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  22.61 +/- 3.17   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.78 +/- 1.04   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  21.56 +/- 1.29   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  24.76 +/- 1.40   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.97 +/- 1.49   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  22.34 +/- 1.15   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.40 +/- 1.30   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.12 +/- 1.53   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  30.95 +/- 2.54   0.000% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 150.5:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.38 +/- 0.17  99.644% * 93.1714% (1.00  10.0 10.00   4.55 150.46) = 100.000%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.52 +/- 0.66   0.123% *  0.0749% (0.80   1.0  1.00   0.02  27.98) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  13.57 +/- 2.48   0.013% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  33   9.01 +/- 2.17   0.106% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.40 +/- 1.04   0.047% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  10.02 +/- 1.07   0.027% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  14.28 +/- 2.58   0.004% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  17.70 +/- 1.69   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.56 +/- 1.62   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.32 +/- 0.69   0.011% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.12 +/- 0.78   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.65 +/- 1.18   0.007% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  22.80 +/- 2.17   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  12.93 +/- 1.38   0.006% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.16 +/- 2.69   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.27 +/- 1.12   0.004% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  21.15 +/- 1.97   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  16.55 +/- 0.89   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.41 +/- 0.81   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.05 +/- 1.89   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.41 +/- 1.92   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  16.35 +/- 1.12   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  23.10 +/- 1.51   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  20.56 +/- 1.20   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  27.39 +/- 2.65   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  22.37 +/- 2.58   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.61 +/- 2.19   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  23.40 +/- 1.03   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.94 +/- 1.43   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  33.08 +/- 2.13   0.000% *  0.0669% (0.72   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 150.5:
    * O T QE    LYS+  33 - QD    LYS+  33   2.09 +/- 0.04  99.917% * 96.5704% (1.00  10.0 10.00   4.20 150.46) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  33   7.84 +/- 0.97   0.053% *  0.0329% (0.34   1.0  1.00   0.02   0.92) =   0.000%
          HB2   ASN   28 - QD    LYS+  33   9.89 +/- 1.48   0.015% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  16.85 +/- 1.63   0.000% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  10.30 +/- 2.13   0.014% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.16 +/- 1.38   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  17.58 +/- 0.97   0.000% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  17.42 +/- 1.03   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.81 +/- 2.32   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  23.69 +/- 0.78   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.25 +/- 1.18   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.41 +/- 1.14   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.22 +/- 1.30   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.45 +/- 1.53   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.58 +/- 2.66   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.73 +/- 2.26   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.992, support = 5.41, residual support = 149.0:
    *   T HA    LYS+  33 - QE    LYS+  33   3.98 +/- 0.48  58.572% * 76.3050% (1.00 10.00   5.44 150.46) =  98.976%  kept
        T HA    GLN   32 - QE    LYS+  33   7.32 +/- 0.87   1.916% * 21.2156% (0.28 10.00   3.29  11.53) =   0.900%  kept
        T HA    GLU-  29 - QE    LYS+  33   7.66 +/- 1.81   6.717% *  0.7364% (0.97 10.00   0.02   0.02) =   0.110%
          HB2   SER   37 - QE    LYS+  33   5.75 +/- 1.85  24.926% *  0.0170% (0.22  1.00   0.02   0.02) =   0.009%
          HA    VAL   18 - QE    LYS+  33  10.15 +/- 2.06   1.387% *  0.0722% (0.95  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QE    LYS+  33   8.95 +/- 1.79   1.028% *  0.0662% (0.87  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB2   ASP-  76   7.02 +/- 1.16   4.420% *  0.0060% (0.08  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QE    LYS+  65  10.29 +/- 2.16   0.597% *  0.0371% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  12.97 +/- 1.47   0.073% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  13.83 +/- 1.08   0.043% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  11.50 +/- 0.74   0.128% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.77 +/- 0.65   0.012% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  21.33 +/- 1.43   0.003% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  23.09 +/- 1.71   0.002% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  14.38 +/- 1.00   0.034% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  21.19 +/- 0.69   0.003% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  21.69 +/- 1.73   0.003% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.35 +/- 1.36   0.002% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  18.72 +/- 2.01   0.009% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  23.52 +/- 2.23   0.002% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.24 +/- 0.72   0.004% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  12.57 +/- 0.76   0.069% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  22.71 +/- 1.78   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  15.29 +/- 0.53   0.022% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.85 +/- 1.65   0.010% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  19.22 +/- 1.39   0.006% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.92 +/- 1.20   0.002% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  21.03 +/- 0.60   0.003% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  27.94 +/- 2.13   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.46 +/- 1.99   0.002% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.23 +/- 1.60   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.94 +/- 1.15   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  24.32 +/- 1.00   0.001% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.14 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 150.5:
    *   T QB    LYS+  33 - QE    LYS+  33   2.84 +/- 0.64  97.591% * 97.9499% (1.00 10.00   5.64 150.46) =  99.999%  kept
          HG3   PRO   68 - QE    LYS+  65  11.01 +/- 2.02   1.098% *  0.0465% (0.47  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QE    LYS+  33   7.52 +/- 1.29   0.534% *  0.0244% (0.25  1.00   0.02   0.16) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   7.90 +/- 0.46   0.383% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  10.35 +/- 1.39   0.132% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  14.12 +/- 2.15   0.018% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  17.50 +/- 1.45   0.003% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  12.71 +/- 1.83   0.026% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  12.59 +/- 1.96   0.042% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  14.62 +/- 1.64   0.011% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  17.12 +/- 0.78   0.004% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.16 +/- 1.30   0.004% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  14.25 +/- 1.70   0.018% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.39 +/- 1.13   0.003% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  18.68 +/- 1.59   0.002% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  16.77 +/- 1.00   0.004% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  16.90 +/- 0.74   0.004% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  10.49 +/- 0.68   0.070% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  20.35 +/- 1.41   0.001% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  15.95 +/- 2.14   0.007% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.01 +/- 0.55   0.005% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  13.14 +/- 0.69   0.017% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  25.35 +/- 1.41   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  17.10 +/- 1.15   0.004% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.16 +/- 1.81   0.001% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  23.28 +/- 1.72   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.47 +/- 3.45   0.001% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.91 +/- 0.92   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  18.62 +/- 1.72   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  18.52 +/- 1.53   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.83 +/- 2.60   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.83 +/- 0.88   0.006% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  18.87 +/- 1.94   0.003% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  25.05 +/- 1.80   0.000% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.81 +/- 1.53   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  21.77 +/- 0.94   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  22.13 +/- 0.84   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  22.81 +/- 1.60   0.001% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.77 +/- 1.61   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  25.46 +/- 1.38   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  27.17 +/- 0.55   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.09 +/- 2.15   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (1.38, 2.92, 42.01 ppm):
    45 chemical-shift based assignments, quality = 0.789, support = 4.73, residual support = 156.7:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.72 +/- 0.64  40.137% * 63.8684% (1.00  10.0 10.00   5.07 150.46) =  57.025%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.39 +/- 0.48  59.365% * 32.5421% (0.51  10.0 10.00   4.29 164.95) =  42.975%  kept
          QB    ALA   12 - QE    LYS+  33   8.59 +/- 2.03   0.052% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  33   9.91 +/- 1.66   0.030% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  10.29 +/- 1.36   0.012% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.43 +/- 1.07   0.228% *  0.0015% (0.02   1.0  1.00   0.02   3.66) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  17.63 +/- 1.80   0.000% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.81 +/- 2.09   0.000% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.39 +/- 1.03   0.071% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.64 +/- 1.08   0.005% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.39 +/- 0.29   0.068% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  19.48 +/- 1.25   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  19.16 +/- 1.36   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.10 +/- 1.64   0.004% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  13.36 +/- 0.93   0.002% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.97 +/- 0.62   0.006% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  19.71 +/- 0.82   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  15.72 +/- 1.64   0.001% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.21 +/- 1.86   0.001% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.67 +/- 1.51   0.002% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  16.80 +/- 2.29   0.001% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  14.10 +/- 2.13   0.002% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.98 +/- 1.26   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  25.13 +/- 1.10   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  11.82 +/- 1.47   0.005% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  20.89 +/- 2.02   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  20.23 +/- 0.57   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.07 +/- 1.26   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  14.94 +/- 1.47   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  17.03 +/- 1.64   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  18.11 +/- 0.80   0.000% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  16.30 +/- 0.67   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.84 +/- 1.27   0.000% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  26.28 +/- 1.10   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  20.92 +/- 1.75   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  17.49 +/- 0.69   0.000% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  27.62 +/- 2.82   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  19.22 +/- 1.27   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  22.43 +/- 2.71   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.75 +/- 1.10   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  22.34 +/- 2.26   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  23.47 +/- 1.93   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  22.22 +/- 2.47   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.46 +/- 1.09   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.76 +/- 1.44   0.000% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 150.5:
    * O T QD    LYS+  33 - QE    LYS+  33   2.09 +/- 0.04  99.880% * 97.4730% (1.00  10.0 10.00   4.20 150.46) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   7.98 +/- 1.28   0.076% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   8.89 +/- 1.16   0.030% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  16.85 +/- 1.63   0.000% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  13.89 +/- 2.03   0.002% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.33 +/- 2.13   0.004% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  13.70 +/- 2.06   0.002% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.16 +/- 1.38   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.58 +/- 0.97   0.000% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  13.68 +/- 1.33   0.002% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.76 +/- 1.74   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.81 +/- 2.32   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  22.76 +/- 3.73   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  15.35 +/- 1.58   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  23.69 +/- 0.78   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  16.00 +/- 2.19   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.30 +/- 2.70   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.53 +/- 2.30   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.5:
    * O T QB    ALA   34 - HA    ALA   34   2.12 +/- 0.01  84.021% * 99.3602% (0.80  10.0 10.00   1.93  25.53) =  99.994%  kept
          QG2   THR   39 - HA    ALA   34   3.73 +/- 1.01  15.925% *  0.0308% (0.25   1.0  1.00   0.02   9.03) =   0.006%
          HG3   LYS+  38 - HA    ALA   34   7.34 +/- 0.36   0.050% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  17.68 +/- 3.62   0.000% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  16.04 +/- 0.80   0.000% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  14.79 +/- 4.44   0.002% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.40 +/- 1.88   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.15 +/- 1.76   0.001% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  18.12 +/- 0.56   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.68 +/- 0.47   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  22.10 +/- 6.20   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  23.13 +/- 1.61   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  28.53 +/- 1.41   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  23.58 +/- 1.60   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.5:
    * O T HA    ALA   34 - QB    ALA   34   2.12 +/- 0.01  99.691% * 98.8230% (0.80  10.0 10.00   1.93  25.53) = 100.000%  kept
          HA1   GLY  101 - QB    ALA   34   7.37 +/- 1.63   0.128% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   7.15 +/- 0.20   0.069% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.68 +/- 0.02   0.102% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  17.68 +/- 3.62   0.000% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.96 +/- 0.25   0.009% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.05 +/- 1.27   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.25 +/- 0.91   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.46 +/- 1.47   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  17.69 +/- 0.40   0.000% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 55.5:
    * O T HB2   ASN   35 - HA    ASN   35   2.77 +/- 0.06  97.635% * 98.4270% (1.00  10.0 10.00   4.04  55.55) =  99.999%  kept
        T HB2   ASN   35 - HA    LEU   40   9.49 +/- 0.43   0.063% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   7.34 +/- 2.28   2.011% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.22 +/- 0.74   0.178% *  0.0336% (0.34   1.0  1.00   0.02   0.92) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.40 +/- 0.27   0.012% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  15.77 +/- 1.39   0.003% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.34 +/- 1.29   0.048% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.42 +/- 0.44   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  12.69 +/- 2.31   0.019% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  17.28 +/- 1.20   0.002% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  18.10 +/- 0.85   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.69 +/- 1.05   0.013% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  17.42 +/- 0.79   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  17.82 +/- 1.25   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  22.60 +/- 1.14   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.74 +/- 0.93   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  17.10 +/- 1.54   0.002% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  15.65 +/- 1.40   0.004% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  22.58 +/- 1.34   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  23.41 +/- 0.86   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.25 +/- 0.96   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 86.8:
    * O T QB    GLU-  36 - HA    GLU-  36   2.41 +/- 0.19  99.960% * 98.9106% (1.00  10.0 10.00   5.58  86.76) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  11.98 +/- 0.76   0.008% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  10.30 +/- 1.50   0.027% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.24 +/- 0.60   0.004% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.08 +/- 1.19   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  30.68 +/- 0.86   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.73 +/- 0.82  99.996% * 99.8378% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  19.51 +/- 1.15   0.002% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  21.72 +/- 1.06   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.62 +/- 1.09   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.36 +/- 0.33  99.965% * 99.2256% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  15.04 +/- 2.70   0.030% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  18.61 +/- 0.70   0.004% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.17 +/- 0.58   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.15 +/- 1.25   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  27.92 +/- 1.42   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  32.87 +/- 0.86   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.73 +/- 0.82  99.997% * 99.7630% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  26.85 +/- 5.39   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.49 +/- 2.38   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  27.07 +/- 0.96   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  32.76 +/- 3.09   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.8:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.49 +/- 0.08  99.962% * 98.9106% (1.00  10.0 10.00   4.30  86.76) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.88 +/- 0.90   0.016% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.18 +/- 0.94   0.008% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.81 +/- 1.49   0.013% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  24.30 +/- 1.37   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  30.75 +/- 0.84   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.8:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.999% * 99.2256% (1.00  10.0 10.00   3.00  86.76) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  13.98 +/- 2.91   0.001% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  17.73 +/- 0.91   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  24.39 +/- 0.83   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.47 +/- 1.97   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  27.71 +/- 2.13   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  32.56 +/- 1.37   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.36 +/- 0.33  99.964% * 99.6097% (1.00  10.0 10.00   3.62  86.76) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  15.04 +/- 2.70   0.030% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  27.39 +/- 5.07   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  27.30 +/- 0.90   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  22.82 +/- 2.00   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  33.02 +/- 2.41   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.82 +/- 1.96   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  27.03 +/- 4.69   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  32.06 +/- 2.65   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  32.07 +/- 2.21   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.8:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.26 +/- 0.11  99.963% * 99.4418% (1.00  10.0  1.00   4.30  86.76) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.60 +/- 1.40   0.012% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  11.87 +/- 1.33   0.006% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  12.28 +/- 2.42   0.010% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.72 +/- 1.49   0.005% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  17.40 +/- 3.44   0.002% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  24.33 +/- 1.42   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  18.66 +/- 3.40   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  27.69 +/- 2.78   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  31.20 +/- 0.97   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  20.89 +/- 2.80   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  36.18 +/- 2.66   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.8:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.999% * 99.6937% (1.00  10.0 10.00   3.00  86.76) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  13.98 +/- 2.91   0.001% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.75 +/- 1.21   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  26.83 +/- 1.73   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  22.34 +/- 1.26   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  27.53 +/- 2.04   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  26.00 +/- 1.65   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  30.18 +/- 2.90   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 337 (2.31, 2.31, 36.40 ppm):
    2 diagonal assignments:
    *     HG3   GLU-  36 - HG3   GLU-  36  (1.00)  kept
          QB    MET   11 - QB    MET   11  (0.05)  kept
 
    Peak 338 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    SER   37 - HA    SER   37  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.30)  kept
 
    Peak 339 (4.03, 4.42, 58.68 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 26.6:
    * O T HB2   SER   37 - HA    SER   37   2.79 +/- 0.17  98.980% * 98.0025% (1.00  10.0 10.00   2.58  26.64) =  99.999%  kept
        T HB2   SER   37 - HA    SER   13  11.37 +/- 2.34   0.054% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   37   6.41 +/- 0.38   0.808% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  10.03 +/- 0.48   0.053% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.51 +/- 0.83   0.040% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  14.68 +/- 2.46   0.013% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  12.17 +/- 2.77   0.037% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.32 +/- 0.78   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  16.37 +/- 1.90   0.005% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  13.92 +/- 1.99   0.009% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  19.66 +/- 1.00   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  18.98 +/- 0.44   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  23.04 +/- 0.64   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  27.47 +/- 1.62   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  28.96 +/- 1.88   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.571, support = 2.23, residual support = 16.3:
      O T QB    SER   13 - HA    SER   13   2.39 +/- 0.17  73.537% * 28.4793% (0.35  10.0 10.00   1.93   7.42) =  53.909%  kept
    * O T HB3   SER   37 - HA    SER   37   2.88 +/- 0.19  26.019% * 68.8149% (0.84  10.0 10.00   2.58  26.64) =  46.090%  kept
          HB    THR   39 - HA    SER   37   6.00 +/- 0.56   0.380% *  0.0566% (0.69   1.0  1.00   0.02   2.59) =   0.001%
        T QB    SER   13 - HA    SER   37  11.18 +/- 2.74   0.022% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  11.00 +/- 2.40   0.019% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46  10.17 +/- 0.71   0.014% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  12.59 +/- 2.24   0.007% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.47 +/- 0.84   0.002% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.97 +/- 0.74   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.13 +/- 0.81   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.84 +/- 0.65   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.18 +/- 0.79   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.83 +/- 2.20   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  26.86 +/- 0.45   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.76 +/- 2.01   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.86 +/- 1.57   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.53 +/- 1.57   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  30.78 +/- 2.69   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 26.6:
    * O T HA    SER   37 - HB2   SER   37   2.79 +/- 0.17  99.633% * 98.1694% (1.00  10.0 10.00   2.58  26.64) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  11.37 +/- 2.34   0.054% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   8.14 +/- 0.46   0.199% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  10.27 +/- 1.54   0.092% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  14.77 +/- 1.70   0.008% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  12.79 +/- 0.60   0.013% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.32 +/- 0.78   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  24.40 +/- 1.13   0.000% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.6:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  97.609% * 98.8953% (0.84  10.0 10.00   2.00  26.64) =  99.998%  kept
          HB    THR   39 - HB2   SER   37   3.63 +/- 0.64   2.381% *  0.0813% (0.69   1.0  1.00   0.02   2.59) =   0.002%
        T QB    SER   13 - HB2   SER   37  10.46 +/- 2.44   0.009% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.57 +/- 2.12   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  25.11 +/- 0.67   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  26.75 +/- 1.48   0.000% *  0.0404% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.575, support = 2.22, residual support = 16.1:
      O T HA    SER   13 - QB    SER   13   2.39 +/- 0.17  73.672% * 29.4827% (0.36  10.0 10.00   1.93   7.42) =  55.052%  kept
    * O T HA    SER   37 - HB3   SER   37   2.88 +/- 0.19  26.060% * 68.0513% (0.84  10.0 10.00   2.58  26.64) =  44.948%  kept
        T HA    SER   37 - QB    SER   13  11.18 +/- 2.74   0.022% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  11.00 +/- 2.40   0.019% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QB    SER   13   6.94 +/- 0.56   0.144% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  10.03 +/- 1.62   0.029% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.54 +/- 0.47   0.039% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  11.32 +/- 0.69   0.008% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.77 +/- 0.58   0.003% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  14.73 +/- 1.58   0.002% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.97 +/- 0.74   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.13 +/- 0.81   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.09 +/- 1.91   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  17.78 +/- 1.37   0.001% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.38 +/- 1.38   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.61 +/- 0.88   0.000% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.6:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.709% * 98.1382% (0.84  10.0 10.00   2.00  26.64) = 100.000%  kept
        T HB2   SER   37 - QB    SER   13  10.46 +/- 2.44   0.009% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   37   8.05 +/- 0.63   0.012% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   37   4.99 +/- 0.65   0.258% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  12.77 +/- 1.67   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.36 +/- 0.75   0.005% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  12.51 +/- 2.31   0.002% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  11.65 +/- 2.56   0.003% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.54 +/- 1.48   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  26.15 +/- 1.49   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 217.5:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.96 +/- 0.01  99.165% * 99.6880% (1.00  10.0 10.00   6.58 217.50) = 100.000%  kept
        T HB2   LYS+  38 - HA    GLU- 100   7.15 +/- 1.01   0.758% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.65 +/- 0.68   0.030% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  15.96 +/- 0.60   0.004% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.46 +/- 0.55   0.008% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.03 +/- 1.21   0.005% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.90 +/- 0.34   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.50 +/- 0.92   0.020% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.38 +/- 0.76   0.003% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.09 +/- 0.82   0.004% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  28.20 +/- 0.71   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.23 +/- 1.29   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.51 +/- 0.67   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  25.48 +/- 0.89   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 217.5:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.72 +/- 0.01  97.981% * 98.2125% (1.00  10.0 10.00   5.89 217.50) =  99.999%  kept
        T HB3   LYS+  38 - HA    GLU- 100   5.93 +/- 1.04   1.776% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LYS+  38   8.14 +/- 0.41   0.144% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  12.62 +/- 0.33   0.010% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  15.08 +/- 1.22   0.004% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.61 +/- 0.54   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.88 +/- 0.56   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.70 +/- 0.83   0.030% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  27.81 +/- 1.07   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.95 +/- 0.94   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  13.36 +/- 0.85   0.008% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.75 +/- 0.36   0.026% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.89 +/- 0.36   0.006% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  32.04 +/- 2.26   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  27.09 +/- 1.37   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  14.42 +/- 0.85   0.005% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  25.23 +/- 0.49   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.19 +/- 0.65   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  28.38 +/- 0.70   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  27.62 +/- 1.34   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  16.55 +/- 1.69   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.90 +/- 1.86   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.76 +/- 0.49   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.40 +/- 0.70   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  25.65 +/- 0.61   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  31.30 +/- 2.06   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 217.5:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.40 +/- 0.27  95.928% * 98.4430% (1.00  10.0 10.00   6.91 217.50) =  99.994%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.57 +/- 0.84   0.401% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  99 - HA    GLU- 100   4.66 +/- 0.34   2.575% *  0.0583% (0.06   1.0 10.00   0.02  40.11) =   0.002%
        T HG2   LYS+  38 - HA    GLU- 100   5.95 +/- 0.89   0.639% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+  38  10.00 +/- 0.45   0.021% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.19 +/- 1.27   0.386% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  11.17 +/- 1.30   0.020% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100   9.86 +/- 0.79   0.025% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  19.90 +/- 0.69   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  19.09 +/- 1.21   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  18.57 +/- 4.55   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.06 +/- 0.26   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.80 +/- 0.48   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  21.99 +/- 0.56   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  17.06 +/- 0.80   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  28.99 +/- 2.38   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.77 +/- 1.29   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  18.36 +/- 4.28   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.37 +/- 0.61   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.51 +/- 0.66   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.72 +/- 0.66   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.34 +/- 2.41   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 217.5:
    * O T HG3   LYS+  38 - HA    LYS+  38   2.73 +/- 0.55  83.469% * 98.9998% (1.00  10.0 10.00   6.58 217.50) =  99.988%  kept
          QB    ALA   34 - HA    LYS+  38   4.50 +/- 0.15   6.383% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+  99 - HA    LYS+  38   7.39 +/- 1.13   0.419% *  0.3716% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    LYS+  38   5.61 +/- 0.49   1.441% *  0.0888% (0.90   1.0  1.00   0.02  22.48) =   0.002%
        T HG3   LYS+  38 - HA    GLU- 100   5.63 +/- 1.37   1.767% *  0.0598% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    GLU- 100   5.38 +/- 0.51   2.430% *  0.0225% (0.02   1.0 10.00   0.02  40.11) =   0.001%
          QB    ALA   34 - HA    GLU- 100   5.51 +/- 0.82   3.616% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   8.50 +/- 0.99   0.142% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    GLU- 100   7.76 +/- 1.15   0.277% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  14.98 +/- 1.04   0.005% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  10.52 +/- 1.43   0.044% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  21.80 +/- 1.96   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  19.41 +/- 0.78   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.42 +/- 0.60   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.45 +/- 0.89   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.96 +/- 1.57   0.003% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.87 +/- 2.27   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.19 +/- 0.72   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  19.77 +/- 0.80   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.43 +/- 0.62   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 217.5:
    *   T QD    LYS+  38 - HA    LYS+  38   3.54 +/- 0.44  87.250% * 97.0123% (1.00 10.00   6.01 217.50) =  99.992%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.26 +/- 1.06  11.258% *  0.0586% (0.06 10.00   0.02   0.02) =   0.008%
          QD    LYS+ 102 - HA    LYS+  38  11.82 +/- 1.48   0.109% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.76 +/- 0.79   1.342% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.84 +/- 1.06   0.003% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  21.61 +/- 0.74   0.002% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  19.92 +/- 0.94   0.004% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  19.96 +/- 4.02   0.004% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  20.10 +/- 0.70   0.003% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  22.38 +/- 4.07   0.003% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.98 +/- 0.99   0.002% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  30.36 +/- 1.84   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.09 +/- 1.14   0.003% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  17.94 +/- 4.20   0.009% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.51 +/- 0.51   0.001% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.27 +/- 0.51   0.001% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  21.42 +/- 4.01   0.003% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.76 +/- 1.83   0.000% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  24.97 +/- 0.50   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  24.59 +/- 0.47   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.16 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 217.5:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.96 +/- 0.01  99.240% * 99.6785% (1.00  10.0 10.00   6.58 217.50) =  99.998%  kept
        T HA    GLU- 100 - HB2   LYS+  38   7.15 +/- 1.01   0.759% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HB2   LYS+  38  21.59 +/- 0.41   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  24.61 +/- 0.92   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  29.68 +/- 1.14   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 217.5:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.994% * 98.9214% (1.00  10.0 10.00   5.31 217.50) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.30 +/- 0.51   0.005% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  14.88 +/- 0.35   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  14.78 +/- 1.40   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.71 +/- 0.48   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  17.28 +/- 0.52   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.65 +/- 0.97   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  31.13 +/- 0.71   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  28.82 +/- 1.21   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.69 +/- 0.46   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  29.61 +/- 0.65   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  28.90 +/- 1.14   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  33.82 +/- 2.30   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 217.5:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.62 +/- 0.17  99.809% * 98.5858% (1.00  10.0 10.00   5.95 217.50) =  99.998%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   7.91 +/- 0.72   0.173% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  38  12.69 +/- 0.39   0.009% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.82 +/- 1.26   0.006% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  18.38 +/- 4.98   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  22.25 +/- 0.68   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  20.35 +/- 1.26   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.10 +/- 0.34   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  22.92 +/- 0.46   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  24.68 +/- 0.54   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  30.97 +/- 2.48   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 217.5:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.74 +/- 0.39  97.901% * 99.1122% (1.00  10.0 10.00   5.61 217.50) =  99.998%  kept
          QG2   THR   39 - HB2   LYS+  38   5.98 +/- 0.17   1.208% *  0.0889% (0.90   1.0  1.00   0.02  22.48) =   0.001%
        T HG3   LYS+  99 - HB2   LYS+  38   8.62 +/- 1.02   0.180% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.59 +/- 0.15   0.639% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  10.02 +/- 1.04   0.067% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  16.20 +/- 1.10   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  23.28 +/- 1.83   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  21.23 +/- 0.80   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.55 +/- 0.57   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.44 +/- 0.99   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 217.5:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.72 +/- 0.01  98.220% * 99.5407% (1.00  10.0 10.00   5.89 217.50) =  99.996%  kept
        T HA    GLU- 100 - HB3   LYS+  38   5.93 +/- 1.04   1.780% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   24 - HB3   LYS+  38  21.55 +/- 0.49   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  28.95 +/- 1.24   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  24.15 +/- 0.96   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 217.5:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.998% * 99.2933% (1.00  10.0 10.00   5.31 217.50) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  11.90 +/- 0.88   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.50 +/- 0.69   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.94 +/- 0.65   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  16.85 +/- 1.27   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  30.10 +/- 0.72   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.50 +/- 0.33   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 217.5:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.01 +/- 0.06  98.430% * 98.5858% (1.00  10.0 10.00   5.63 217.50) =  99.985%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.29 +/- 0.71   1.519% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.015%
          HB2   LEU   31 - HB3   LYS+  38  12.65 +/- 0.46   0.018% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.69 +/- 1.22   0.024% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  17.49 +/- 5.03   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  21.38 +/- 0.71   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  19.58 +/- 1.26   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.52 +/- 0.35   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  22.42 +/- 0.44   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  24.35 +/- 0.57   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.68 +/- 2.53   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 217.5:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.65 +/- 0.15  98.174% * 98.2829% (1.00  10.0 10.00   5.29 217.50) =  99.997%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   6.99 +/- 0.97   0.444% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   LYS+  38   5.92 +/- 0.09   0.818% *  0.0881% (0.90   1.0  1.00   0.02  22.48) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.42 +/- 0.19   0.523% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   LYS+  38  10.15 +/- 1.06   0.039% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  22.58 +/- 1.88   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  16.53 +/- 1.13   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  21.47 +/- 0.80   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.69 +/- 0.63   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.16 +/- 0.96   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 217.5:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.25 +/- 0.17  99.993% * 98.0597% (1.00  10.0 10.00   4.63 217.50) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  12.36 +/- 1.67   0.006% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.89 +/- 1.20   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  21.53 +/- 1.04   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  19.78 +/- 4.21   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  21.69 +/- 4.47   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  24.03 +/- 0.75   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.98 +/- 2.01   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  27.69 +/- 0.50   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  27.84 +/- 0.44   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 217.5:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.40 +/- 0.27  96.369% * 99.3217% (1.00  10.0 10.00   6.91 217.50) =  99.996%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.66 +/- 0.34   2.587% *  0.0603% (0.06   1.0 10.00   0.02  40.11) =   0.002%
        T HA    GLU- 100 - HG2   LYS+  38   5.95 +/- 0.89   0.641% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  38 - HG2   LYS+  99   6.57 +/- 0.84   0.402% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   LYS+  38  20.63 +/- 0.52   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  20.53 +/- 0.71   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  23.30 +/- 1.10   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  21.73 +/- 0.93   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  30.63 +/- 1.06   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  25.30 +/- 1.38   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 217.5:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.62 +/- 0.17  99.742% * 99.4277% (1.00  10.0 10.00   5.95 217.50) = 100.000%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   7.91 +/- 0.72   0.173% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99   9.99 +/- 1.23   0.070% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  16.91 +/- 0.49   0.001% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.85 +/- 0.72   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.53 +/- 0.52   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  17.65 +/- 1.30   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.06 +/- 0.41   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.09 +/- 1.11   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.46 +/- 1.30   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.57 +/- 0.73   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  30.12 +/- 0.93   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.10 +/- 0.58   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  25.87 +/- 0.69   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 217.5:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.01 +/- 0.06  98.180% * 98.9095% (1.00  10.0 10.00   5.63 217.50) =  99.996%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.29 +/- 0.71   1.515% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - HG2   LYS+  38   9.24 +/- 0.37   0.119% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  14.40 +/- 0.36   0.008% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.46 +/- 0.50   0.059% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  11.48 +/- 1.02   0.039% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.75 +/- 0.45   0.018% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.25 +/- 0.86   0.024% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.98 +/- 0.71   0.007% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.46 +/- 0.57   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  13.17 +/- 1.45   0.018% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  16.42 +/- 0.76   0.004% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.79 +/- 1.27   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.99 +/- 1.08   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.66 +/- 1.64   0.000% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  29.44 +/- 1.26   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  26.81 +/- 0.67   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.42 +/- 0.81   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.81 +/- 0.69   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  30.10 +/- 1.02   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.77 +/- 1.30   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.99 +/- 0.43   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  30.32 +/- 0.78   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  25.89 +/- 0.62   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  34.40 +/- 2.27   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.63 +/- 2.12   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.917, support = 6.35, residual support = 213.4:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.952% * 89.3422% (1.00  10.0 10.00   6.32 217.50) =  90.721%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.952% *  9.1383% (0.10  10.0 10.00   6.61 173.68) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   7.46 +/- 1.17   0.017% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.32 +/- 0.29   0.024% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.88 +/- 1.10   0.004% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   7.25 +/- 0.39   0.011% *  0.0801% (0.90   1.0  1.00   0.02  22.48) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   6.80 +/- 0.79   0.019% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   6.78 +/- 0.61   0.018% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  10.57 +/- 0.96   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  10.82 +/- 0.88   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  16.88 +/- 1.03   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.68 +/- 0.87   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.04 +/- 1.02   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.96 +/- 1.38   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.17 +/- 2.01   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.67 +/- 0.70   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  23.77 +/- 1.86   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.18 +/- 0.70   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  20.69 +/- 0.75   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  21.33 +/- 0.79   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 217.5:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.44 +/- 0.17  99.447% * 96.4250% (1.00  10.0 10.00   5.75 217.50) =  99.999%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.39 +/- 1.10   0.423% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  99   8.36 +/- 1.45   0.112% *  0.2104% (0.22   1.0 10.00   0.02   1.81) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  12.55 +/- 1.68   0.009% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  22.66 +/- 1.12   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  14.30 +/- 4.47   0.005% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  19.49 +/- 1.08   0.000% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.16 +/- 0.94   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.55 +/- 1.12   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  21.94 +/- 4.04   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  17.39 +/- 4.46   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  23.32 +/- 0.89   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  24.24 +/- 4.09   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.41 +/- 2.19   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  32.52 +/- 1.98   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  21.83 +/- 0.77   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  28.85 +/- 0.48   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.43 +/- 0.76   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  28.53 +/- 0.55   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  23.84 +/- 0.46   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 217.5:
    * O T HA    LYS+  38 - HG3   LYS+  38   2.73 +/- 0.55  94.367% * 99.5416% (1.00  10.0 10.00   6.58 217.50) =  99.994%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.63 +/- 1.37   1.987% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU- 100 - HG3   LYS+  99   5.38 +/- 0.51   3.102% *  0.0231% (0.02   1.0 10.00   0.02  40.11) =   0.001%
        T HA    LYS+  38 - HG3   LYS+  99   7.39 +/- 1.13   0.541% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  21.24 +/- 0.60   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  23.69 +/- 1.02   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  21.01 +/- 1.03   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  22.07 +/- 0.86   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  30.59 +/- 1.58   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  25.13 +/- 1.82   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 217.5:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.74 +/- 0.39  99.706% * 99.6340% (1.00  10.0 10.00   5.61 217.50) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.62 +/- 1.02   0.184% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.81 +/- 0.97   0.010% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  10.07 +/- 1.41   0.088% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  17.81 +/- 0.64   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.44 +/- 0.64   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  18.08 +/- 1.28   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.90 +/- 0.58   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.79 +/- 1.48   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.74 +/- 0.97   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.26 +/- 1.24   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  30.23 +/- 1.04   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.73 +/- 0.99   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  25.91 +/- 0.64   0.000% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 217.5:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.65 +/- 0.15  99.412% * 98.2474% (1.00  10.0 10.00   5.29 217.50) = 100.000%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   6.99 +/- 0.97   0.450% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  38   9.99 +/- 0.35   0.038% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  15.04 +/- 0.63   0.003% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.32 +/- 0.69   0.032% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  11.05 +/- 1.11   0.026% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.54 +/- 0.51   0.009% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.26 +/- 1.15   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  29.35 +/- 1.84   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  16.05 +/- 1.30   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  12.89 +/- 1.26   0.010% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  16.65 +/- 1.51   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.55 +/- 1.21   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.55 +/- 1.23   0.003% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  13.07 +/- 1.91   0.010% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.47 +/- 2.00   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  27.18 +/- 0.77   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.56 +/- 0.93   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  30.01 +/- 1.48   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  30.41 +/- 1.24   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.81 +/- 0.53   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  24.58 +/- 1.76   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  25.21 +/- 0.48   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  34.48 +/- 2.44   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  25.91 +/- 0.78   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.56 +/- 2.30   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.35, residual support = 213.4:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.986% * 89.3736% (1.00  10.0 10.00   6.32 217.50) =  90.720%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.986% *  9.1415% (0.10  10.0 10.00   6.61 173.68) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.46 +/- 1.17   0.017% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.88 +/- 1.10   0.004% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.03 +/- 0.63   0.001% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.59 +/- 0.91   0.005% *  0.0014% (0.02   1.0  1.00   0.02  17.77) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.02 +/- 1.64   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.33 +/- 1.02   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  21.32 +/- 1.14   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.36 +/- 5.05   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.72 +/- 2.69   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  14.49 +/- 4.82   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.33 +/- 1.61   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.58 +/- 0.79   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.93 +/- 1.54   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.81 +/- 0.79   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.63 +/- 0.78   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.27 +/- 0.81   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.49 +/- 0.76   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.85 +/- 2.51   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.71 +/- 0.57   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.45 +/- 0.88   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 217.5:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.32 +/- 0.15  99.612% * 97.6899% (1.00  10.0 10.00   5.31 217.50) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   7.01 +/- 1.09   0.277% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.41 +/- 1.57   0.096% *  0.0816% (0.08   1.0 10.00   0.02   1.81) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  12.11 +/- 2.10   0.008% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  22.70 +/- 1.18   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  22.52 +/- 1.17   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  13.80 +/- 4.68   0.004% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.43 +/- 1.25   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  21.41 +/- 4.46   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.75 +/- 1.35   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  23.77 +/- 0.90   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  16.88 +/- 4.69   0.001% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  23.74 +/- 4.61   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  32.22 +/- 1.99   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.99 +/- 2.25   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  28.86 +/- 1.09   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  22.18 +/- 0.76   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.27 +/- 0.74   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  28.65 +/- 1.09   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  23.82 +/- 0.50   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 217.4:
    *   T HA    LYS+  38 - QD    LYS+  38   3.54 +/- 0.44  88.241% * 98.6212% (1.00 10.00   6.01 217.50) =  99.971%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.26 +/- 1.06  11.383% *  0.2196% (0.22 10.00   0.02   0.02) =   0.029%
        T HD2   PRO   58 - QD    LYS+  65  10.66 +/- 1.12   0.179% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  13.29 +/- 1.05   0.045% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  11.96 +/- 0.92   0.075% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  19.92 +/- 0.94   0.004% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  15.64 +/- 1.11   0.015% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.84 +/- 1.06   0.003% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  22.06 +/- 1.37   0.002% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  20.09 +/- 0.87   0.003% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.09 +/- 1.14   0.003% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.98 +/- 0.99   0.002% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  27.63 +/- 1.01   0.000% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.17 +/- 2.25   0.041% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  25.60 +/- 1.73   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  22.35 +/- 2.03   0.002% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.36 +/- 1.84   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.76 +/- 1.83   0.000% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  26.71 +/- 1.12   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  24.26 +/- 1.01   0.001% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 217.5:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.72 +/- 0.40  99.250% * 99.6020% (1.00  10.0   4.95 217.50) = 100.000%  kept
          QG    GLN   17 - QD    LYS+  65   8.95 +/- 2.19   0.543% *  0.0045% (0.05   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74   9.59 +/- 1.47   0.105% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.61 +/- 0.86   0.017% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.23 +/- 0.50   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  11.04 +/- 1.15   0.037% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  15.99 +/- 0.52   0.003% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  12.39 +/- 1.38   0.017% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  16.79 +/- 1.14   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.13 +/- 1.06   0.003% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  14.93 +/- 0.80   0.005% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  15.55 +/- 0.69   0.004% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  17.65 +/- 2.00   0.003% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.82 +/- 0.55   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  21.16 +/- 1.24   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  21.79 +/- 1.10   0.000% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  16.86 +/- 1.42   0.002% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  27.59 +/- 1.25   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  23.53 +/- 2.39   0.000% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  21.91 +/- 1.86   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  24.61 +/- 2.33   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  25.83 +/- 1.53   0.000% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.52 +/- 2.05   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  25.40 +/- 1.18   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  32.27 +/- 1.94   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.34 +/- 1.25   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.33 +/- 1.29   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.45 +/- 1.06   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 217.5:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.25 +/- 0.17  99.762% * 98.4611% (1.00  10.0 10.00   4.63 217.50) = 100.000%  kept
          HB3   PRO   58 - QD    LYS+  65   8.48 +/- 1.06   0.050% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.31 +/- 1.52   0.012% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  38  10.08 +/- 0.48   0.013% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  14.07 +/- 2.66   0.059% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  13.44 +/- 1.06   0.003% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  10.56 +/- 0.45   0.011% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.57 +/- 2.57   0.019% *  0.0072% (0.07   1.0  1.00   0.02   2.20) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  14.61 +/- 0.54   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  11.90 +/- 1.53   0.007% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.89 +/- 1.54   0.026% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  12.85 +/- 1.24   0.004% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.49 +/- 1.62   0.003% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.10 +/- 1.03   0.003% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.63 +/- 1.18   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.50 +/- 0.79   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  14.37 +/- 1.01   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.89 +/- 1.20   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  21.53 +/- 1.04   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  14.51 +/- 1.19   0.002% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  13.56 +/- 1.53   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  16.49 +/- 1.21   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.57 +/- 1.14   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  18.35 +/- 1.72   0.000% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.93 +/- 0.62   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  16.23 +/- 1.39   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  15.87 +/- 2.25   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  17.65 +/- 1.92   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.70 +/- 1.70   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.95 +/- 1.56   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.14 +/- 1.62   0.002% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.49 +/- 0.92   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  15.68 +/- 2.60   0.002% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  26.55 +/- 1.13   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  19.57 +/- 1.56   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  16.04 +/- 1.51   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.10 +/- 1.73   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  25.09 +/- 0.92   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.99 +/- 1.04   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  27.02 +/- 1.01   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.10 +/- 1.06   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  27.72 +/- 1.01   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.98 +/- 2.01   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.72 +/- 1.40   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  21.51 +/- 1.55   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.32 +/- 1.75   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  31.31 +/- 1.91   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.62 +/- 0.83   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  25.57 +/- 1.42   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.90 +/- 1.26   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  24.82 +/- 3.56   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  27.84 +/- 1.24   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.979, support = 5.76, residual support = 219.7:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.44 +/- 0.17  65.116% * 91.2181% (1.00  10.0 10.00   5.75 217.50) =  97.749%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.89 +/- 0.13  24.818% *  5.4974% (0.06  10.0 10.00   6.21 315.48) =   2.245%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.39 +/- 1.10   0.286% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HD2   LYS+  74   4.50 +/- 1.32   9.615% *  0.0068% (0.07   1.0  1.00   0.02   6.13) =   0.001%
          QG2   THR   77 - HD2   LYS+  74   8.31 +/- 1.01   0.051% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.47 +/- 0.66   0.047% *  0.0075% (0.08   1.0  1.00   0.02   1.41) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.92 +/- 0.89   0.005% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.02 +/- 1.58   0.022% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.07 +/- 1.38   0.006% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.46 +/- 1.21   0.007% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.55 +/- 1.12   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.49 +/- 1.08   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  19.61 +/- 1.57   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.44 +/- 2.21   0.009% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.62 +/- 2.52   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.54 +/- 1.33   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.16 +/- 0.94   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.76 +/- 4.39   0.001% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.98 +/- 1.29   0.004% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  19.42 +/- 1.07   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  14.82 +/- 0.51   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  22.66 +/- 1.12   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  15.53 +/- 1.09   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.28 +/- 0.97   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  14.46 +/- 1.20   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.91 +/- 0.65   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.99 +/- 0.78   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.44 +/- 0.98   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.64 +/- 1.00   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.64 +/- 1.08   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.72 +/- 1.25   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.41 +/- 2.19   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.22 +/- 1.82   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.48 +/- 1.48   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.64 +/- 0.56   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.89 +/- 1.05   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  22.39 +/- 1.68   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.12 +/- 1.31   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.52 +/- 1.98   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.39 +/- 0.77   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.77 +/- 1.24   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.10 +/- 1.42   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.77 +/- 1.83   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.94 +/- 1.51   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.975, support = 5.31, residual support = 216.7:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.32 +/- 0.15  72.778% * 91.1914% (1.00  10.0 10.00   5.31 217.50) =  97.335%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.79 +/- 0.23  26.627% *  6.8213% (0.07  10.0 10.00   5.54 187.60) =   2.664%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.01 +/- 1.09   0.181% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD    LYS+  38   6.86 +/- 0.54   0.144% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   7.04 +/- 0.16   0.099% *  0.0818% (0.90   1.0  1.00   0.02  22.48) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   8.71 +/- 1.22   0.046% *  0.0113% (0.12   1.0  1.00   0.02   6.31) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.52 +/- 1.98   0.027% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.84 +/- 0.90   0.008% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.66 +/- 1.99   0.004% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111   9.40 +/- 1.24   0.023% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.67 +/- 1.73   0.021% *  0.0065% (0.07   1.0  1.00   0.02   2.20) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.98 +/- 0.76   0.007% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.02 +/- 0.86   0.007% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.20 +/- 0.65   0.004% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  13.20 +/- 2.52   0.006% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.71 +/- 1.24   0.004% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.89 +/- 1.12   0.003% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.39 +/- 0.90   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  13.69 +/- 1.31   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.54 +/- 1.00   0.001% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.28 +/- 1.26   0.005% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.52 +/- 1.17   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.75 +/- 1.35   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  22.70 +/- 1.18   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  15.12 +/- 0.91   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.43 +/- 1.25   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.52 +/- 1.58   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  20.01 +/- 0.66   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.83 +/- 0.92   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  15.42 +/- 1.67   0.001% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.35 +/- 1.04   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  18.99 +/- 0.73   0.000% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  19.34 +/- 2.13   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.99 +/- 2.25   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  32.22 +/- 1.99   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.84 +/- 1.56   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.61 +/- 1.32   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.48 +/- 1.07   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.29 +/- 1.70   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.92 +/- 1.81   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.3:
    * O T HB    THR   39 - HA    THR   39   2.93 +/- 0.20  97.234% * 98.6574% (1.00  10.0 10.00   3.00  37.34) =  99.997%  kept
          HB3   SER   37 - HA    THR   39   5.42 +/- 0.48   2.655% *  0.0952% (0.97   1.0  1.00   0.02   2.59) =   0.003%
        T HB    THR   39 - HA    ILE  103  13.08 +/- 0.64   0.015% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  13.21 +/- 2.12   0.027% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.60 +/- 0.63   0.029% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.87 +/- 2.66   0.019% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  13.65 +/- 0.46   0.010% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  16.11 +/- 0.60   0.004% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.81 +/- 2.34   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  22.69 +/- 0.41   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.14 +/- 0.86   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.08 +/- 0.64   0.004% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  29.92 +/- 0.67   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  20.33 +/- 1.30   0.001% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  26.16 +/- 1.48   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  22.84 +/- 1.84   0.001% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 37.3:
    * O T QG2   THR   39 - HA    THR   39   2.37 +/- 0.44  95.469% * 97.0314% (0.87  10.0 10.00   3.00  37.34) =  99.996%  kept
          QB    ALA   34 - HA    THR   39   4.66 +/- 0.29   2.483% *  0.0934% (0.84   1.0  1.00   0.02   9.03) =   0.003%
          HG3   LYS+  38 - HA    THR   39   6.62 +/- 0.34   0.393% *  0.1116% (1.00   1.0  1.00   0.02  22.48) =   0.000%
          HG3   LYS+  99 - HA    THR   39   6.55 +/- 1.28   0.924% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    THR   39   6.70 +/- 1.19   0.516% *  0.0311% (0.28   1.0  1.00   0.02   0.22) =   0.000%
        T QG2   THR   39 - HA    ILE  103  11.09 +/- 0.50   0.017% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   8.00 +/- 0.47   0.126% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.23 +/- 0.37   0.046% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  14.67 +/- 0.68   0.003% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.80 +/- 1.28   0.006% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  19.43 +/- 0.92   0.001% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  22.30 +/- 0.51   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  14.03 +/- 1.14   0.006% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.73 +/- 2.12   0.003% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  19.43 +/- 0.73   0.001% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  19.20 +/- 1.81   0.001% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  13.48 +/- 0.75   0.005% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.24 +/- 1.08   0.001% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  18.16 +/- 1.19   0.001% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.31 +/- 0.80   0.001% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.3:
    * O T HA    THR   39 - HB    THR   39   2.93 +/- 0.20  99.972% * 98.7925% (1.00  10.0 10.00   3.00  37.34) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  13.08 +/- 0.64   0.015% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  14.96 +/- 0.81   0.007% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  16.88 +/- 2.76   0.004% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.59 +/- 1.16   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  24.55 +/- 1.02   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  24.15 +/- 0.83   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  24.23 +/- 0.95   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.98 +/- 1.26   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.863, support = 2.98, residual support = 33.7:
    * O T QG2   THR   39 - HB    THR   39   2.14 +/- 0.01  79.892% * 50.3520% (0.87  10.0 10.00   3.00  37.34) =  87.277%  kept
        T QB    ALA   34 - HB    THR   39   3.30 +/- 0.75  12.092% * 48.4853% (0.84   1.0 10.00   2.88   9.03) =  12.720%  kept
          HG    LEU   71 - HB    THR   39   4.20 +/- 1.40   7.942% *  0.0161% (0.28   1.0  1.00   0.02   0.22) =   0.003%
        T HG3   LYS+  99 - HB    THR   39   8.74 +/- 1.28   0.030% *  0.1980% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    THR   39   7.95 +/- 0.41   0.033% *  0.0579% (1.00   1.0  1.00   0.02  22.48) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.30 +/- 1.41   0.009% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  17.35 +/- 1.11   0.000% *  0.2825% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  21.77 +/- 0.67   0.000% *  0.5035% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  18.61 +/- 1.71   0.000% *  0.0560% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.35 +/- 1.34   0.000% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 37.3:
    * O T HA    THR   39 - QG2   THR   39   2.37 +/- 0.44  99.123% * 96.3159% (0.87  10.0 10.00   3.00  37.34) =  99.999%  kept
          HA    GLU-  79 - QG2   THR   23   6.46 +/- 0.83   0.457% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  11.09 +/- 0.50   0.019% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   91   7.62 +/- 1.00   0.161% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  11.74 +/- 0.85   0.012% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   8.29 +/- 0.69   0.108% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91  10.13 +/- 1.95   0.040% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  14.67 +/- 0.68   0.003% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91  10.08 +/- 0.35   0.030% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.39 +/- 0.43   0.010% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  14.30 +/- 1.99   0.010% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  19.43 +/- 0.92   0.001% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  13.00 +/- 1.57   0.009% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  19.43 +/- 0.73   0.001% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  13.87 +/- 0.87   0.004% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  13.35 +/- 0.68   0.005% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  22.30 +/- 0.51   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  14.45 +/- 0.72   0.003% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.38 +/- 1.06   0.001% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.95 +/- 1.02   0.001% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  18.32 +/- 1.23   0.001% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  20.68 +/- 0.86   0.001% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.45 +/- 0.66   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.19 +/- 1.21   0.001% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.73 +/- 1.07   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  21.69 +/- 3.30   0.000% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  33.08 +/- 2.19   0.000% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 37.3:
    * O T HB    THR   39 - QG2   THR   39   2.14 +/- 0.01  89.314% * 97.9974% (0.87  10.0 10.00   3.00  37.34) =  99.989%  kept
          HB3   SER   37 - QG2   THR   39   4.05 +/- 0.97   9.759% *  0.0946% (0.84   1.0  1.00   0.02   2.59) =   0.011%
          HA    ILE   89 - QB    ALA   91   4.86 +/- 0.33   0.716% *  0.0447% (0.40   1.0  1.00   0.02   7.95) =   0.000%
          QB    SER   13 - QG2   THR   39   9.66 +/- 1.64   0.037% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91   8.23 +/- 2.08   0.115% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.40 +/- 1.08   0.032% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23  10.00 +/- 1.06   0.011% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  17.35 +/- 1.11   0.000% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  10.27 +/- 0.91   0.009% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  11.96 +/- 0.74   0.003% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.53 +/- 0.54   0.001% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.35 +/- 1.74   0.001% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  21.77 +/- 0.67   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  15.34 +/- 0.65   0.001% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  18.53 +/- 0.66   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.43 +/- 1.41   0.000% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  17.69 +/- 0.90   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  21.24 +/- 1.35   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  18.54 +/- 1.05   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  22.20 +/- 1.06   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.39 +/- 0.60   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.75 +/- 0.80   0.000% *  0.0302% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.18 +/- 0.54   0.000% *  0.0115% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  26.02 +/- 0.90   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (1.26, 1.26, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   39 - QG2   THR   39  (0.75)  kept
          QB    ALA   91 - QB    ALA   91  (0.36)  kept
          QG2   THR   23 - QG2   THR   23  (0.24)  kept
 
    Peak 392 (4.40, 4.40, 56.43 ppm):
    3 diagonal assignments:
    *     HA    LEU   40 - HA    LEU   40  (1.00)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.14)  kept
 
    Peak 393 (1.94, 4.40, 56.43 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 103.9:
    * O T HB2   LEU   40 - HA    LEU   40   2.43 +/- 0.17  97.297% * 97.9662% (1.00  10.0 10.00   5.20 103.90) =  99.999%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.89 +/- 0.65   2.440% *  0.0386% (0.39   1.0  1.00   0.02   1.37) =   0.001%
        T HB2   LEU   67 - HA    GLU-  15   8.82 +/- 1.75   0.144% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    ASN   35   9.49 +/- 0.20   0.030% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  13.43 +/- 1.33   0.005% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40  11.47 +/- 1.70   0.015% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   8.72 +/- 0.23   0.049% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.85 +/- 0.31   0.008% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  14.21 +/- 1.19   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  15.39 +/- 1.29   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  16.50 +/- 1.47   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  16.79 +/- 0.94   0.001% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  16.06 +/- 0.52   0.001% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.89 +/- 0.79   0.000% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  16.05 +/- 1.58   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  19.06 +/- 1.07   0.000% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  22.58 +/- 2.44   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  25.39 +/- 2.58   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  20.28 +/- 2.37   0.000% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  27.08 +/- 1.56   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  32.29 +/- 1.68   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.899, support = 5.42, residual support = 103.9:
    * O T HB3   LEU   40 - HA    LEU   40   2.88 +/- 0.25  65.607% * 70.6117% (1.00  10.0 10.00   5.44 103.90) =  83.904%  kept
      O T HG    LEU   40 - HA    LEU   40   3.31 +/- 0.40  33.532% * 26.5014% (0.38  10.0 10.00   5.30 103.90) =  16.095%  kept
          HG    LEU   67 - HA    GLU-  15   8.83 +/- 3.06   0.604% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35   9.76 +/- 0.26   0.043% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  12.40 +/- 1.64   0.019% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.39 +/- 0.55   0.029% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40  10.82 +/- 1.85   0.065% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  19.14 +/- 1.32   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.17 +/- 0.93   0.013% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  11.08 +/- 0.77   0.022% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  12.02 +/- 2.05   0.022% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  18.78 +/- 1.53   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  15.28 +/- 2.35   0.004% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.45 +/- 1.41   0.009% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  14.08 +/- 0.51   0.005% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  15.99 +/- 0.70   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  22.05 +/- 1.48   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  14.94 +/- 3.97   0.007% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  13.36 +/- 0.31   0.007% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  19.69 +/- 1.47   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.02 +/- 1.06   0.003% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  25.86 +/- 1.27   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  17.65 +/- 1.10   0.002% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  21.93 +/- 1.53   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.35 +/- 1.46   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.67 +/- 0.58   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  21.28 +/- 2.12   0.000% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  22.79 +/- 2.51   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  21.94 +/- 3.81   0.000% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  22.92 +/- 1.06   0.000% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 103.9:
    * O T HA    LEU   40 - HB2   LEU   40   2.43 +/- 0.17  81.749% * 98.0349% (1.00  10.0 10.00   5.20 103.90) =  99.994%  kept
          HA    LYS+  99 - HB2   LEU   40   3.84 +/- 1.13  16.783% *  0.0244% (0.25   1.0  1.00   0.02  12.59) =   0.005%
        T HA    GLU-  15 - HB2   LEU   67   8.82 +/- 1.75   0.121% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   40   9.49 +/- 0.20   0.027% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  13.43 +/- 1.33   0.005% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   7.00 +/- 2.18   1.243% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67  11.47 +/- 1.70   0.014% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.87 +/- 0.34   0.013% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  13.73 +/- 5.01   0.008% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  14.87 +/- 1.55   0.003% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  17.72 +/- 2.09   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  11.88 +/- 4.05   0.016% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.44 +/- 1.11   0.005% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  19.50 +/- 1.30   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.79 +/- 0.94   0.001% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  14.91 +/- 1.70   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.17 +/- 0.46   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  13.43 +/- 1.90   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  21.26 +/- 2.26   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.73 +/- 1.00   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  16.36 +/- 1.90   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.37 +/- 1.88   0.001% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.97, support = 4.22, residual support = 103.4:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  81.931% * 69.9238% (1.00  10.0 10.00   4.22 103.90) =  95.387%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.58 +/- 0.26   9.544% * 26.2432% (0.38  10.0  1.00   4.73 103.90) =   4.170%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.62 +/- 0.24   8.464% *  3.1374% (0.04  10.0  1.00   4.99  57.71) =   0.442%
        T HB3   LEU   40 - HB2   LEU   67   9.17 +/- 2.10   0.012% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   9.54 +/- 2.22   0.011% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   9.57 +/- 2.46   0.012% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.80 +/- 2.56   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.19 +/- 0.66   0.021% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  17.77 +/- 1.54   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.88 +/- 2.28   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  13.56 +/- 4.08   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  15.28 +/- 2.71   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  12.97 +/- 2.59   0.001% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.95 +/- 1.30   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  16.41 +/- 0.80   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  15.20 +/- 0.57   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  12.85 +/- 1.29   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  16.35 +/- 1.35   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.73 +/- 1.17   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  15.31 +/- 3.33   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 103.9:
    * O T HA    LEU   40 - HB3   LEU   40   2.88 +/- 0.25  83.952% * 97.9684% (1.00  10.0 10.00   5.44 103.90) =  99.996%  kept
          HA    LYS+  99 - HB3   LEU   40   4.66 +/- 1.24  12.211% *  0.0244% (0.25   1.0  1.00   0.02  12.59) =   0.004%
        T HA    GLU-  15 - HB3   LEU   40  12.40 +/- 1.64   0.025% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40   9.76 +/- 0.26   0.061% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   5.97 +/- 1.49   3.499% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.19 +/- 1.40   0.140% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.90 +/- 0.26   0.033% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  13.54 +/- 4.78   0.019% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  13.70 +/- 1.75   0.015% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  16.99 +/- 2.31   0.004% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  18.78 +/- 1.53   0.001% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  18.58 +/- 1.48   0.002% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  12.02 +/- 1.05   0.021% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.61 +/- 1.05   0.010% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  22.05 +/- 1.48   0.001% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.33 +/- 0.59   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.48 +/- 2.19   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.35 +/- 1.46   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  18.23 +/- 1.42   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  19.11 +/- 1.79   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  28.72 +/- 1.81   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  27.38 +/- 1.16   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 103.9:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.981% * 99.4293% (1.00  10.0 10.00   4.22 103.90) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   9.17 +/- 2.10   0.015% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.19 +/- 0.56   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.91 +/- 1.73   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  15.95 +/- 1.86   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  17.77 +/- 1.54   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.64 +/- 1.48   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  15.28 +/- 2.71   0.000% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.34 +/- 0.89   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.38 +/- 2.68   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.72 +/- 1.30   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.64 +/- 1.83   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  26.15 +/- 1.45   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  35.23 +/- 2.12   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.19, residual support = 73.8:
    * O T HB    VAL   41 - HA    VAL   41   2.93 +/- 0.14  99.321% * 99.0830% (0.69  10.0 10.00   4.19  73.83) = 100.000%  kept
          QB    LYS+  33 - HA    VAL   41   7.40 +/- 0.47   0.431% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41   9.51 +/- 0.65   0.101% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.59 +/- 0.46   0.029% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  12.24 +/- 1.08   0.027% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  11.85 +/- 0.91   0.028% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  12.87 +/- 1.21   0.017% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  10.95 +/- 0.51   0.039% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  18.80 +/- 2.74   0.002% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.13 +/- 0.69   0.002% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  23.49 +/- 0.77   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.29 +/- 0.37   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  24.14 +/- 2.17   0.001% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  21.42 +/- 0.79   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.10 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 73.8:
    * O T QG1   VAL   41 - HA    VAL   41   2.57 +/- 0.22  92.963% * 98.7361% (1.00  10.0 10.00   4.11  73.83) =  99.995%  kept
          QG1   VAL   43 - HA    VAL   41   4.63 +/- 0.19   2.993% *  0.0934% (0.95   1.0  1.00   0.02   1.29) =   0.003%
          QD2   LEU   73 - HA    VAL   41   4.93 +/- 0.57   2.949% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    VAL   41   6.18 +/- 1.08   0.790% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   18 - HA    VAL   41  10.32 +/- 0.69   0.032% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.56 +/- 0.95   0.084% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   7.88 +/- 1.00   0.180% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.36 +/- 0.75   0.005% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  15.18 +/- 1.76   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 73.8:
    * O T QG2   VAL   41 - HA    VAL   41   2.32 +/- 0.32  97.994% * 99.7508% (1.00  10.0 10.00   3.95  73.83) =  99.998%  kept
          QD2   LEU   98 - HA    VAL   41   4.73 +/- 0.61   1.928% *  0.0944% (0.95   1.0  1.00   0.02  28.82) =   0.002%
          QD2   LEU   63 - HA    VAL   41   8.62 +/- 1.06   0.073% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  13.14 +/- 1.05   0.004% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.19, residual support = 73.8:
    * O T HA    VAL   41 - HB    VAL   41   2.93 +/- 0.14  99.974% * 99.8595% (0.69  10.0 10.00   4.19  73.83) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  14.75 +/- 4.53   0.012% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  12.95 +/- 0.50   0.014% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 3.91, residual support = 73.8:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  95.031% * 98.7361% (0.69  10.0 10.00   3.91  73.83) =  99.995%  kept
          QG1   VAL   43 - HB    VAL   41   3.78 +/- 0.38   3.689% *  0.0934% (0.65   1.0  1.00   0.02   1.29) =   0.004%
          HG    LEU   31 - HB    VAL   41   5.49 +/- 1.40   1.013% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - HB    VAL   41   7.51 +/- 1.14   0.099% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    VAL   41   6.52 +/- 0.67   0.150% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  11.95 +/- 0.88   0.003% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   9.82 +/- 1.15   0.013% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.80 +/- 0.79   0.001% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.41 +/- 1.97   0.001% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.83, residual support = 72.1:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.01  66.355% * 92.3819% (0.69  10.0 10.00   3.92  73.83) =  96.060%  kept
          QD2   LEU   98 - HB    VAL   41   2.58 +/- 0.62  33.634% *  7.4747% (0.65   1.0  1.00   1.71  28.82) =   3.940%  kept
          QD2   LEU   63 - HB    VAL   41   9.64 +/- 1.05   0.009% *  0.0560% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  12.86 +/- 1.13   0.002% *  0.0874% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 73.8:
    * O T HA    VAL   41 - QG2   VAL   41   2.32 +/- 0.32  99.974% * 99.8595% (1.00  10.0 10.00   3.95  73.83) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41  10.29 +/- 0.53   0.017% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  13.43 +/- 3.49   0.009% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.92, residual support = 73.8:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.01  99.565% * 99.0830% (0.69  10.0 10.00   3.92  73.83) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   6.87 +/- 0.94   0.151% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.23 +/- 0.77   0.219% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.83 +/- 0.85   0.025% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   8.78 +/- 0.75   0.024% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.52 +/- 0.74   0.007% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  11.95 +/- 0.88   0.004% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  12.87 +/- 1.02   0.002% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  17.26 +/- 2.01   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.27 +/- 0.79   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  14.72 +/- 0.51   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.47 +/- 0.97   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  16.58 +/- 0.89   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  20.49 +/- 1.71   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.75, residual support = 72.0:
    * O T QG1   VAL   41 - QG2   VAL   41   2.06 +/- 0.04  64.764% * 89.1443% (1.00  10.0 10.00   3.80  73.83) =  97.486%  kept
          QG1   VAL   43 - QG2   VAL   41   2.85 +/- 0.51  13.796% *  7.8254% (0.95   1.0  1.00   1.86   1.29) =   1.823%  kept
          HG    LEU   31 - QG2   VAL   41   3.23 +/- 1.19  20.158% *  2.0276% (0.61   1.0  1.00   0.75   0.02) =   0.690%  kept
          QD2   LEU   73 - QG2   VAL   41   4.45 +/- 0.86   1.139% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  104 - QG2   VAL   41   7.54 +/- 1.17   0.080% *  0.1764% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QG2   VAL   41   9.34 +/- 0.71   0.009% *  0.6813% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   7.13 +/- 0.88   0.051% *  0.0275% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  11.00 +/- 0.65   0.003% *  0.0577% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.16 +/- 1.46   0.001% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 4.37, residual support = 87.6:
    * O T HB    VAL   42 - HA    VAL   42   2.94 +/- 0.06  94.662% * 97.8517% (0.87  10.0 10.00   4.37  87.61) =  99.994%  kept
          QB    LEU   98 - HA    VAL   42   5.43 +/- 0.66   3.136% *  0.0862% (0.76   1.0  1.00   0.02   0.71) =   0.003%
        T HB2   LYS+ 112 - HA    PHE   55   8.32 +/- 2.75   1.042% *  0.1824% (0.16   1.0 10.00   0.02   3.17) =   0.002%
          HB3   LEU   73 - HA    VAL   42   6.78 +/- 0.89   0.927% *  0.0903% (0.80   1.0  1.00   0.02   1.80) =   0.001%
          HG3   LYS+ 106 - HA    VAL   42   9.07 +/- 0.48   0.118% *  0.0639% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  11.87 +/- 0.51   0.023% *  0.1041% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.35 +/- 0.53   0.031% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  19.23 +/- 1.96   0.002% *  0.7749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.90 +/- 0.60   0.014% *  0.0862% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  13.47 +/- 3.11   0.016% *  0.0506% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  15.17 +/- 1.00   0.006% *  0.0979% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  14.43 +/- 1.12   0.008% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  20.14 +/- 1.65   0.001% *  0.2303% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  18.41 +/- 2.01   0.002% *  0.1089% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.72 +/- 1.38   0.005% *  0.0230% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  18.02 +/- 1.70   0.003% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  20.78 +/- 1.44   0.001% *  0.0213% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.72 +/- 1.82   0.001% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.05 +/- 1.65   0.001% *  0.0119% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  22.27 +/- 1.39   0.001% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.44 +/- 1.45   0.001% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  28.85 +/- 2.17   0.000% *  0.0256% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  29.43 +/- 1.64   0.000% *  0.0245% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.93 +/- 1.77   0.000% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 87.6:
    * O T QG1   VAL   42 - HA    VAL   42   2.64 +/- 0.24  99.124% * 98.1799% (0.97  10.0 10.00   4.00  87.61) =  99.999%  kept
        T QB    ALA   64 - HA    VAL   42   8.66 +/- 0.93   0.114% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   7.34 +/- 2.43   0.708% *  0.0164% (0.16   1.0  1.00   0.02   3.17) =   0.000%
        T QB    ALA   47 - HA    PHE   55  10.29 +/- 0.71   0.037% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.65 +/- 0.30   0.004% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  14.92 +/- 1.27   0.004% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  13.33 +/- 1.49   0.009% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.52 +/- 1.96   0.002% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 87.6:
    * O T QG2   VAL   42 - HA    VAL   42   2.22 +/- 0.28  99.916% * 99.6660% (0.80  10.0 10.00   4.00  87.61) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   7.56 +/- 0.36   0.082% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  16.10 +/- 1.28   0.001% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  16.26 +/- 0.83   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.37, residual support = 87.6:
    * O T HA    VAL   42 - HB    VAL   42   2.94 +/- 0.06  98.334% * 97.9628% (0.87  10.0 10.00   4.37  87.61) =  99.995%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.32 +/- 2.75   1.094% *  0.3914% (0.35   1.0 10.00   0.02   3.17) =   0.004%
          HA    ALA  110 - HB2   LYS+ 112   7.59 +/- 1.05   0.480% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.49 +/- 0.89   0.058% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  19.23 +/- 1.96   0.002% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  20.14 +/- 1.65   0.001% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  13.65 +/- 0.45   0.010% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.93 +/- 0.35   0.009% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  15.90 +/- 1.69   0.005% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  16.77 +/- 1.53   0.003% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  18.73 +/- 0.91   0.002% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.81 +/- 1.40   0.001% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  22.93 +/- 2.33   0.001% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.88 +/- 2.31   0.000% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (1.39, 1.39, 32.90 ppm):
    2 diagonal assignments:
    *     HB    VAL   42 - HB    VAL   42  (0.75)  kept
          HB2   LYS+ 112 - HB2   LYS+ 112  (0.42)  kept
 
    Peak 419 (0.37, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.796, support = 4.6, residual support = 101.8:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  82.029% * 65.1690% (0.84  10.0 10.00   4.37  87.61) =  90.140%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.77 +/- 0.18  17.863% * 32.7352% (0.42  10.0 10.00   6.74 231.65) =   9.860%  kept
          QB    ALA   64 - HB    VAL   42   6.87 +/- 0.88   0.103% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.92 +/- 1.72   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  14.29 +/- 1.31   0.001% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.29 +/- 0.36   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  19.06 +/- 2.18   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  14.79 +/- 1.87   0.002% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.28, residual support = 87.6:
    * O T QG2   VAL   42 - HB    VAL   42   2.13 +/- 0.02  99.965% * 99.1635% (0.69  10.0 10.00   4.28  87.61) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.18 +/- 0.46   0.033% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.35 +/- 1.90   0.002% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  18.01 +/- 1.49   0.000% *  0.0565% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.37, residual support = 87.6:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  98.969% * 96.3200% (0.84  10.0 10.00   4.37  87.61) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   5.15 +/- 0.83   0.801% *  0.0889% (0.77   1.0  1.00   0.02   1.80) =   0.001%
          QB    LEU   98 - QG1   VAL   42   6.87 +/- 0.56   0.100% *  0.0849% (0.74   1.0  1.00   0.02   0.71) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   7.82 +/- 0.80   0.050% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  14.92 +/- 1.72   0.002% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   8.98 +/- 0.71   0.020% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42  10.16 +/- 0.97   0.010% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  14.29 +/- 1.31   0.001% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  10.30 +/- 0.56   0.008% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.29 +/- 0.36   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.07 +/- 0.67   0.010% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47   9.98 +/- 1.02   0.012% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42  11.63 +/- 2.33   0.006% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  12.80 +/- 0.53   0.002% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.19 +/- 0.64   0.002% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  14.68 +/- 1.62   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.11 +/- 1.06   0.003% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  16.06 +/- 0.55   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  16.89 +/- 1.53   0.000% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.49 +/- 0.68   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.01 +/- 1.59   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.15 +/- 0.97   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.49 +/- 1.46   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.95 +/- 0.86   0.000% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 87.6:
    * O T QG2   VAL   42 - QG1   VAL   42   2.07 +/- 0.04  99.787% * 98.9960% (0.77  10.0 10.00   4.00  87.61) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.10 +/- 0.65   0.184% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.18 +/- 0.34   0.028% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.77 +/- 0.65   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 87.6:
    * O T HA    VAL   42 - QG2   VAL   42   2.22 +/- 0.28  99.947% * 99.2010% (0.80  10.0 10.00   4.00  87.61) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.58 +/- 0.80   0.030% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  16.10 +/- 1.28   0.001% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.69 +/- 0.73   0.012% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.23 +/- 0.41   0.004% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  12.93 +/- 1.27   0.005% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  15.45 +/- 0.94   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.28, residual support = 87.6:
    * O T HB    VAL   42 - QG2   VAL   42   2.13 +/- 0.02  99.358% * 98.4381% (0.69  10.0 10.00   4.28  87.61) =  99.999%  kept
          HB3   LEU   73 - QG2   VAL   42   6.75 +/- 1.04   0.276% *  0.0909% (0.64   1.0  1.00   0.02   1.80) =   0.000%
          QB    LEU   98 - QG2   VAL   42   5.86 +/- 0.66   0.283% *  0.0867% (0.61   1.0  1.00   0.02   0.71) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   8.37 +/- 0.72   0.031% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.35 +/- 1.90   0.002% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  10.15 +/- 0.55   0.009% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42   9.86 +/- 1.11   0.017% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.84 +/- 0.72   0.006% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42  10.62 +/- 2.64   0.011% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.69 +/- 0.99   0.004% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  14.71 +/- 1.62   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.69 +/- 1.33   0.002% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 87.6:
    * O T QG1   VAL   42 - QG2   VAL   42   2.07 +/- 0.04  99.741% * 98.8869% (0.77  10.0 10.00   4.00  87.61) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.86 +/- 0.67   0.255% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  12.77 +/- 0.65   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  14.72 +/- 1.84   0.002% *  0.0704% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.4:
    * O T HB    VAL   43 - HA    VAL   43   2.95 +/- 0.17  99.969% * 99.7401% (0.97  10.0 10.00   3.30  60.40) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.63 +/- 0.52   0.017% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  15.22 +/- 0.71   0.006% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  14.52 +/- 0.85   0.008% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 4.37, residual support = 60.4:
    * O T QG1   VAL   43 - HA    VAL   43   2.64 +/- 0.10  91.391% * 99.5406% (0.90  10.0 10.00   4.37  60.40) =  99.994%  kept
          QD2   LEU   73 - HA    VAL   43   4.70 +/- 0.85   7.592% *  0.0584% (0.53   1.0  1.00   0.02   8.77) =   0.005%
          QG1   VAL   41 - HA    VAL   43   7.11 +/- 0.33   0.264% *  0.1100% (0.99   1.0  1.00   0.02   1.29) =   0.000%
          HG    LEU   31 - HA    VAL   43   7.10 +/- 0.88   0.321% *  0.0762% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    VAL   43   7.91 +/- 0.84   0.164% *  0.0762% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.28 +/- 0.73   0.117% *  0.0628% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.33 +/- 0.70   0.115% *  0.0277% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.76 +/- 1.70   0.015% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.19 +/- 0.91   0.020% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 60.4:
    * O T QG2   VAL   43 - HA    VAL   43   2.21 +/- 0.23  98.950% * 98.9143% (0.69  10.0 10.00   3.00  60.40) =  99.990%  kept
        T QD2   LEU   31 - HA    VAL   43   4.96 +/- 0.59   0.952% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.010%
          QG2   VAL   83 - HA    VAL   43   7.62 +/- 0.85   0.098% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.4:
    * O T HA    VAL   43 - HB    VAL   43   2.95 +/- 0.17  99.931% * 99.8083% (0.97  10.0 10.00   3.30  60.40) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  12.51 +/- 1.27   0.021% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  10.85 +/- 0.52   0.043% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.04 +/- 0.47   0.004% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.865, support = 3.73, residual support = 60.4:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.01  99.643% * 97.7514% (0.87  10.0 10.00   3.73  60.40) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   7.42 +/- 0.33   0.059% *  1.0803% (0.96   1.0 10.00   0.02   1.29) =   0.001%
          QD2   LEU   73 - HB    VAL   43   6.92 +/- 0.96   0.188% *  0.0573% (0.51   1.0  1.00   0.02   8.77) =   0.000%
        T QG2   VAL   18 - HB    VAL   43  10.07 +/- 0.74   0.010% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   7.67 +/- 0.79   0.059% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.32 +/- 1.00   0.010% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   9.16 +/- 0.71   0.018% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.62 +/- 0.84   0.007% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  11.64 +/- 2.00   0.006% *  0.0303% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.4:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.618% * 98.9143% (0.66  10.0 10.00   2.89  60.40) =  99.997%  kept
        T QD2   LEU   31 - HB    VAL   43   5.84 +/- 0.39   0.255% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - HB    VAL   43   6.85 +/- 0.91   0.128% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.37, residual support = 60.4:
    * O T HA    VAL   43 - QG1   VAL   43   2.64 +/- 0.10  99.811% * 99.8083% (0.90  10.0 10.00   4.37  60.40) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   7.87 +/- 0.47   0.155% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  10.92 +/- 1.01   0.024% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.27 +/- 0.36   0.010% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.73, residual support = 60.4:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.01  99.975% * 99.7401% (0.87  10.0 10.00   3.73  60.40) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   8.80 +/- 0.53   0.022% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  13.35 +/- 0.55   0.002% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  14.10 +/- 0.85   0.001% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 3.85, residual support = 60.4:
    * O T QG2   VAL   43 - QG1   VAL   43   2.06 +/- 0.05  93.140% * 98.9143% (0.62  10.0 10.00   3.85  60.40) =  99.924%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.37 +/- 0.42   6.677% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.076%
          QG2   VAL   83 - QG1   VAL   43   6.00 +/- 0.59   0.184% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.4:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  99.722% * 99.3815% (0.66  10.0 10.00   2.89  60.40) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   5.84 +/- 0.39   0.255% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  11.25 +/- 0.56   0.005% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   43  11.34 +/- 0.49   0.004% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.24 +/- 0.95   0.009% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  14.01 +/- 0.82   0.001% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  14.32 +/- 0.70   0.001% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  13.17 +/- 0.85   0.002% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.538, support = 4.17, residual support = 87.9:
    * O T QG1   VAL   43 - QG2   VAL   43   2.06 +/- 0.05  45.815% * 80.9559% (0.62  10.0 10.00   3.85  60.40) =  83.751%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  40.382% * 17.7908% (0.14  10.0 10.00   5.80 229.93) =  16.223%  kept
        T QG1   VAL   43 - QD2   LEU   31   3.37 +/- 0.42   3.321% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.017%
          QG1   VAL   41 - QD2   LEU   31   3.65 +/- 0.91   6.899% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   31 - QG2   VAL   43   5.43 +/- 0.72   0.179% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   73 - QG2   VAL   43   5.03 +/- 0.83   1.344% *  0.0475% (0.36   1.0  1.00   0.02   8.77) =   0.001%
          QD2   LEU   73 - QD2   LEU   31   3.65 +/- 0.36   1.828% *  0.0136% (0.10   1.0  1.00   0.02   3.35) =   0.001%
          QG1   VAL   41 - QG2   VAL   43   6.39 +/- 0.41   0.055% *  0.0895% (0.68   1.0  1.00   0.02   1.29) =   0.000%
          QG2   THR   46 - QG2   VAL   43   6.99 +/- 0.52   0.034% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.98 +/- 0.88   0.018% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.04 +/- 0.63   0.085% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.05 +/- 0.75   0.016% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   8.78 +/- 0.69   0.009% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.50 +/- 1.40   0.003% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   9.85 +/- 0.79   0.004% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.09 +/- 0.62   0.004% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.80 +/- 1.18   0.005% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  13.82 +/- 1.54   0.001% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 37.8:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.99 +/- 0.09  99.133% * 97.1917% (1.00  10.0 10.00   2.68  37.77) =  99.999%  kept
          HB3   PHE   72 - HA    ASP-  44   7.79 +/- 0.72   0.377% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44   8.24 +/- 1.31   0.395% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.47 +/- 1.33   0.006% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  17.15 +/- 1.45   0.003% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  10.99 +/- 1.31   0.050% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  11.67 +/- 0.63   0.031% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  25.46 +/- 1.73   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  15.92 +/- 0.54   0.005% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.8:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.57 +/- 0.20  99.437% * 98.4998% (1.00  10.0 10.00   4.00  37.77) =  99.999%  kept
        T QB    ALA   84 - HA    ASP-  44   8.89 +/- 0.55   0.069% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    ASP-  44   7.15 +/- 0.64   0.296% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   8.74 +/- 0.94   0.091% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44  10.04 +/- 0.99   0.039% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  10.55 +/- 0.93   0.027% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.41 +/- 0.53   0.025% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  13.46 +/- 0.62   0.006% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  14.92 +/- 1.32   0.003% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.27 +/- 1.06   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.19 +/- 0.49   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  16.09 +/- 1.80   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.51 +/- 0.34   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 37.8:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.99 +/- 0.09  99.822% * 98.1053% (1.00  10.0 10.00   2.68  37.77) = 100.000%  kept
          HB    THR   77 - HB2   ASP-  44  11.92 +/- 0.62   0.027% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ASP-  44   9.90 +/- 1.38   0.109% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  17.24 +/- 1.06   0.003% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.68 +/- 0.50   0.011% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.45 +/- 0.61   0.008% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  15.69 +/- 0.53   0.005% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  25.77 +/- 2.26   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.41 +/- 0.52   0.005% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  16.29 +/- 0.80   0.004% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.56 +/- 0.34   0.004% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.23 +/- 1.30   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.62, residual support = 37.8:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.970% * 99.2040% (1.00  10.0 10.00   2.62  37.77) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   8.15 +/- 0.99   0.013% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   8.38 +/- 0.76   0.010% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  10.27 +/- 0.46   0.003% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  11.16 +/- 0.80   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.37 +/- 1.05   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  13.25 +/- 0.73   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.85 +/- 0.61   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  17.16 +/- 1.24   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.19 +/- 1.19   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.57 +/- 0.71   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  17.39 +/- 2.03   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.14 +/- 0.37   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.8:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.57 +/- 0.20  99.870% * 99.3093% (1.00  10.0 10.00   4.00  37.77) = 100.000%  kept
          HB    THR   77 - HB3   ASP-  44  11.27 +/- 0.73   0.017% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   ASP-  44   8.82 +/- 1.63   0.096% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  14.02 +/- 0.67   0.004% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  15.41 +/- 0.64   0.003% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  14.55 +/- 0.57   0.004% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.00 +/- 0.66   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.58 +/- 0.46   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.70 +/- 0.38   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.53 +/- 1.18   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  27.16 +/- 2.31   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.57 +/- 1.34   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.62, residual support = 37.8:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.936% * 99.4398% (1.00  10.0 10.00   2.62  37.77) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   6.54 +/- 0.77   0.047% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44   8.79 +/- 1.59   0.013% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  11.01 +/- 1.28   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  13.18 +/- 0.82   0.001% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.58 +/- 1.30   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  15.97 +/- 1.45   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  16.06 +/- 0.79   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  24.70 +/- 1.61   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.3:
    * O T HB2   PHE   45 - HA    PHE   45   3.07 +/- 0.01  99.419% * 99.8680% (1.00  10.0 10.00   3.31  80.32) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   7.90 +/- 1.52   0.576% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  16.15 +/- 1.08   0.005% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.3:
    * O T HB3   PHE   45 - HA    PHE   45   2.55 +/- 0.07  99.966% * 99.6736% (1.00  10.0 10.00   4.00  80.32) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.77 +/- 0.62   0.019% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  12.37 +/- 0.49   0.008% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  15.44 +/- 1.91   0.003% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.28 +/- 0.53   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  15.28 +/- 0.76   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  16.97 +/- 1.05   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.3:
    * O T HA    PHE   45 - HB2   PHE   45   3.07 +/- 0.01  99.986% * 99.9145% (1.00  10.0 10.00   3.31  80.32) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.89 +/- 0.28   0.012% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  19.06 +/- 1.00   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.3:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.992% * 99.6736% (1.00  10.0 10.00   3.31  80.32) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   8.87 +/- 0.59   0.006% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  11.98 +/- 0.58   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  14.22 +/- 1.67   0.000% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.21 +/- 0.85   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.41 +/- 0.59   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  18.39 +/- 1.10   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.3:
    * O T HA    PHE   45 - HB3   PHE   45   2.55 +/- 0.07  99.997% * 99.9145% (1.00  10.0 10.00   4.00  80.32) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.51 +/- 0.12   0.003% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.54 +/- 0.90   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.3:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.995% * 99.8680% (1.00  10.0 10.00   3.31  80.32) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45   9.91 +/- 1.57   0.005% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  15.09 +/- 1.26   0.000% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - HA    THR   46   2.51 +/- 0.13  99.994% * 98.0423% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  14.25 +/- 1.23   0.004% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  25.55 +/- 1.04   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  24.44 +/- 1.61   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  19.41 +/- 5.00   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.10 +/- 1.12   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  22.54 +/- 3.74   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.58 +/- 1.40   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  31.72 +/- 1.86   0.000% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HA    THR   46   3.04 +/- 0.28  98.966% * 97.3989% (1.00  10.0 10.00   3.00  34.51) =  99.999%  kept
          QG2   VAL   18 - HA    THR   46   9.24 +/- 1.00   0.199% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   13   8.96 +/- 1.28   0.347% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   37   8.48 +/- 0.31   0.247% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  10.85 +/- 1.02   0.062% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46  10.64 +/- 0.10   0.060% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.36 +/- 0.37   0.016% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  13.77 +/- 0.57   0.014% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.06 +/- 0.87   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  13.68 +/- 0.68   0.014% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  13.36 +/- 0.51   0.016% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.93 +/- 1.08   0.002% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  14.75 +/- 1.91   0.014% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  15.98 +/- 0.86   0.005% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.68 +/- 0.30   0.006% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.30 +/- 0.44   0.016% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  17.21 +/- 1.55   0.004% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.85 +/- 0.77   0.003% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  16.53 +/- 0.72   0.005% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  20.42 +/- 1.77   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  18.60 +/- 2.19   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.51 +/- 0.13  99.981% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  12.40 +/- 1.18   0.008% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  14.50 +/- 1.38   0.004% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.14 +/- 0.86   0.006% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  25.55 +/- 1.04   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  24.44 +/- 1.61   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.06 +/- 1.39   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  19.57 +/- 0.86   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  99.890% * 99.5878% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   7.61 +/- 1.41   0.098% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46  10.63 +/- 0.60   0.007% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  12.37 +/- 0.96   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  15.35 +/- 0.84   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.08 +/- 1.06   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  16.10 +/- 1.12   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - QG2   THR   46   3.04 +/- 0.28  99.865% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    GLN   17 - QG2   THR   46  11.99 +/- 0.57   0.031% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG2   THR   46  11.32 +/- 1.32   0.044% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.22 +/- 0.81   0.043% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.93 +/- 1.08   0.002% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.06 +/- 0.87   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  14.78 +/- 0.63   0.009% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.48 +/- 0.84   0.004% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  99.997% * 99.8459% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  13.99 +/- 1.59   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.56 +/- 1.22   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 11.0:
    * O T QB    ALA   47 - HA    ALA   47   2.14 +/- 0.01  99.996% * 99.0048% (0.95  10.0 10.00   2.00  10.99) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  13.04 +/- 0.50   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.22 +/- 1.08   0.001% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  17.98 +/- 1.73   0.000% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.934, support = 2.02, residual support = 10.9:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.01  72.350% * 93.1825% (0.95  10.0 10.00   2.00  10.99) =  97.736%  kept
          HA    CYSS  50 - QB    ALA   47   2.58 +/- 0.32  27.060% *  5.7717% (0.42   1.0  1.00   2.76   7.17) =   2.264%  kept
          HA    TRP   49 - QB    ALA   47   4.82 +/- 0.09   0.555% *  0.0259% (0.26   1.0  1.00   0.02  16.05) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  13.04 +/- 0.50   0.001% *  0.7137% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47   9.65 +/- 1.20   0.011% *  0.0913% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42  10.44 +/- 0.64   0.006% *  0.0700% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  10.56 +/- 1.45   0.006% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  10.28 +/- 0.75   0.006% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QG1   VAL   42  13.40 +/- 0.57   0.001% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.84 +/- 0.57   0.001% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  13.17 +/- 0.71   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.12 +/- 0.82   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.83, residual support = 9.67:
    * O T QB    SER   48 - HA    SER   48   2.28 +/- 0.08  99.011% * 96.0221% (1.00  10.0 10.00   1.83   9.67) =  99.997%  kept
        T QB    SER   85 - HB2   SER   82   5.21 +/- 0.50   0.910% *  0.2561% (0.27   1.0 10.00   0.02   2.96) =   0.002%
          HA2   GLY   51 - HA    SER   48   8.87 +/- 0.19   0.029% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  13.82 +/- 1.10   0.002% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  15.49 +/- 1.11   0.001% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  10.08 +/- 1.51   0.024% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  12.85 +/- 0.67   0.003% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  17.06 +/- 1.39   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  11.30 +/- 0.85   0.008% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  22.26 +/- 1.49   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.51 +/- 0.43   0.002% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  24.07 +/- 1.55   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  15.57 +/- 3.62   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  15.72 +/- 3.22   0.001% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  23.44 +/- 0.74   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.67 +/- 0.98   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  22.52 +/- 0.41   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  12.71 +/- 1.48   0.004% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  25.92 +/- 0.79   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  18.16 +/- 0.87   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  21.83 +/- 1.45   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.37 +/- 2.53   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.75 +/- 1.05   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.87 +/- 1.87   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  26.85 +/- 1.12   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  31.10 +/- 0.76   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  23.69 +/- 1.06   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  31.96 +/- 1.39   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  30.05 +/- 1.19   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  30.04 +/- 1.79   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYSS  50 - HA    CYSS  50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 74.3:
    * O T HB2   TRP   49 - HA    TRP   49   2.40 +/- 0.10  99.192% * 50.9151% (1.00  10.0 10.00   3.88  74.80) =  99.264%  kept
        T HB2   TRP   49 - HA    CYSS  50   5.49 +/- 0.20   0.780% * 47.9899% (0.94   1.0 10.00   3.37   3.13) =   0.736%  kept
        T HA2   GLY  109 - HA    CYSS  50  11.63 +/- 2.29   0.012% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  15.85 +/- 2.53   0.002% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYSS  50  14.08 +/- 0.64   0.003% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  16.80 +/- 0.73   0.001% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYSS  50  12.11 +/- 0.53   0.006% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYSS  50  18.23 +/- 1.52   0.001% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYSS  50  19.18 +/- 1.39   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.57 +/- 0.96   0.002% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.23 +/- 1.82   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  24.29 +/- 1.56   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.88, residual support = 74.8:
    * O T HB3   TRP   49 - HA    TRP   49   2.46 +/- 0.09  99.478% * 98.8838% (0.84  10.0 10.00   3.88  74.80) =  99.995%  kept
        T HB3   TRP   49 - HA    CYSS  50   5.96 +/- 0.17   0.515% *  0.9320% (0.79   1.0 10.00   0.02   3.13) =   0.005%
          HB3   PHE   59 - HA    CYSS  50  12.70 +/- 0.67   0.006% *  0.0893% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.49 +/- 0.89   0.001% *  0.0948% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 74.8:
    * O T HA    TRP   49 - HB2   TRP   49   2.40 +/- 0.10  99.101% * 97.9260% (1.00  10.0 10.00   3.88  74.80) =  99.993%  kept
        T HA    CYSS  50 - HB2   TRP   49   5.49 +/- 0.20   0.779% *  0.9263% (0.95   1.0 10.00   0.02   3.13) =   0.007%
          HA    ALA   47 - HB2   TRP   49   7.50 +/- 0.19   0.116% *  0.0272% (0.28   1.0  1.00   0.02  16.05) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  15.77 +/- 2.32   0.002% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  20.22 +/- 1.45   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.07 +/- 1.73   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  30.95 +/- 0.70   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 74.8:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  74.80) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.49 +/- 0.87   0.000% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 3.88, residual support = 74.8:
    * O T HA    TRP   49 - HB3   TRP   49   2.46 +/- 0.09  99.223% * 98.7661% (0.84  10.0 10.00   3.88  74.80) =  99.995%  kept
        T HA    CYSS  50 - HB3   TRP   49   5.96 +/- 0.17   0.514% *  0.9343% (0.79   1.0 10.00   0.02   3.13) =   0.005%
          HA    ALA   47 - HB3   TRP   49   6.68 +/- 0.19   0.259% *  0.0275% (0.23   1.0  1.00   0.02  16.05) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  16.27 +/- 2.15   0.002% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  19.45 +/- 1.43   0.001% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.32 +/- 1.59   0.001% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  30.68 +/- 0.61   0.000% *  0.0639% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 74.8:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 99.6151% (0.84  10.0 10.00   3.00  74.80) = 100.000%  kept
          HA2   GLY  109 - HB3   TRP   49  15.18 +/- 2.64   0.000% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  16.07 +/- 0.77   0.000% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.00 +/- 0.71   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  23.92 +/- 1.90   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  24.57 +/- 1.58   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYSS  50 - HA    CYSS  50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 1.65, residual support = 7.18:
    * O T QB    CYSS  50 - HA    CYSS  50   2.30 +/- 0.13  97.290% * 51.3514% (1.00  10.0 10.00   1.61   7.28) =  97.533%  kept
        T QB    CYSS  50 - HA    TRP   49   4.26 +/- 0.15   2.611% * 48.4012% (0.94   1.0 10.00   3.16   3.13) =   2.467%  kept
          QE    LYS+  74 - HA    CYSS  50   9.30 +/- 0.96   0.030% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    TRP   49   9.11 +/- 1.19   0.038% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYSS  50   9.68 +/- 1.21   0.025% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  12.49 +/- 1.13   0.005% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYSS  50  17.15 +/- 0.86   0.001% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.89 +/- 1.35   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYSS  50  27.19 +/- 0.85   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.36 +/- 1.43   0.000% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.61, residual support = 7.28:
    * O T HA    CYSS  50 - QB    CYSS  50   2.30 +/- 0.13  96.462% * 98.7658% (1.00  10.0 10.00   1.61   7.28) =  99.974%  kept
        T HA    TRP   49 - QB    CYSS  50   4.26 +/- 0.15   2.589% *  0.9343% (0.95   1.0 10.00   0.02   3.13) =   0.025%
          HA    ALA   47 - QB    CYSS  50   5.08 +/- 0.37   0.937% *  0.0443% (0.45   1.0  1.00   0.02   7.17) =   0.000%
          HA1   GLY  109 - QB    CYSS  50  13.17 +/- 1.59   0.004% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYSS  50  12.29 +/- 1.29   0.005% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYSS  50  14.31 +/- 1.30   0.002% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYSS  50  24.42 +/- 0.92   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYSS  50 - QB    CYSS  50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.08, residual support = 222.0:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  97.693% * 99.8323% (1.00  10.0 10.00   7.08 222.00) =  99.999%  kept
          HA    ALA   91 - HD2   PRO   52   8.57 +/- 1.89   2.112% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HD2   PRO   52  12.19 +/- 1.54   0.142% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  14.38 +/- 0.99   0.047% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  20.16 +/- 0.67   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.16 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 222.0:
    * O T HB2   PRO   52 - HD2   PRO   52   3.87 +/- 0.06  99.978% * 99.5699% (1.00  10.0 10.00   6.48 222.00) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  18.57 +/- 0.98   0.009% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  17.31 +/- 0.91   0.013% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 222.0:
    * O T HB3   PRO   52 - HD2   PRO   52   4.02 +/- 0.06  89.263% * 98.1836% (1.00  10.0 10.00   6.58 222.00) =  99.994%  kept
        T HG    LEU  123 - HD2   PRO   52  22.46 +/- 3.81   0.212% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HD2   PRO   52   7.26 +/- 1.72   6.347% *  0.0303% (0.31   1.0  1.00   0.02   0.96) =   0.002%
          HG2   ARG+  54 - HD2   PRO   52   6.88 +/- 0.48   3.955% *  0.0368% (0.38   1.0  1.00   0.02   1.73) =   0.002%
        T QB    LYS+  81 - HD2   PRO   52  13.80 +/- 1.20   0.069% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  12.78 +/- 1.75   0.127% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  24.54 +/- 0.89   0.002% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.49 +/- 1.17   0.007% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  22.43 +/- 0.89   0.003% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  19.93 +/- 1.00   0.006% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  22.67 +/- 0.50   0.003% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.54 +/- 0.87   0.002% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  26.22 +/- 1.64   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.01 +/- 0.57   0.002% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.11 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 222.0:
    * O T HG2   PRO   52 - HD2   PRO   52   2.38 +/- 0.20  99.828% * 99.6094% (1.00  10.0 10.00   6.48 222.00) = 100.000%  kept
          HG2   MET   92 - HD2   PRO   52   7.70 +/- 1.09   0.162% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD2   PRO   52  12.90 +/- 1.23   0.005% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  14.85 +/- 0.91   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.84 +/- 0.73   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  26.52 +/- 0.92   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.27 +/- 0.92   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 222.0:
    * O T HG3   PRO   52 - HD2   PRO   52   2.78 +/- 0.20  99.711% * 98.5427% (1.00  10.0 10.00   6.48 222.00) = 100.000%  kept
        T HG2   PRO   58 - HD2   PRO   52  13.14 +/- 0.82   0.011% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   52   7.95 +/- 1.03   0.277% *  0.0304% (0.31   1.0  1.00   0.02   0.96) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  25.59 +/- 0.63   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  20.41 +/- 1.36   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  28.60 +/- 1.81   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  27.38 +/- 1.04   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  38.83 +/- 2.01   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 222.0:
    * O T HB2   PRO   52 - HA    PRO   52   2.69 +/- 0.13  99.997% * 99.5699% (1.00  10.0 10.00   5.09 222.00) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  19.52 +/- 1.15   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.98 +/- 1.04   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 222.0:
    * O T HB3   PRO   52 - HA    PRO   52   2.35 +/- 0.13  98.955% * 99.2796% (1.00  10.0 10.00   6.08 222.00) = 100.000%  kept
          HG2   ARG+  54 - HA    PRO   52   6.05 +/- 1.03   0.637% *  0.0373% (0.38   1.0  1.00   0.02   1.73) =   0.000%
          HG    LEU  123 - HA    PRO   52  20.57 +/- 4.10   0.162% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    PRO   52   6.90 +/- 1.37   0.242% *  0.0306% (0.31   1.0  1.00   0.02   0.96) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  16.94 +/- 1.28   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  14.74 +/- 1.97   0.002% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.82 +/- 1.19   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  19.34 +/- 1.29   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.23 +/- 1.00   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.90 +/- 0.67   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.03 +/- 1.06   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  25.88 +/- 1.57   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  26.22 +/- 1.02   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.40 +/- 0.79   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.0:
    * O T HG2   PRO   52 - HA    PRO   52   3.96 +/- 0.03  98.984% * 99.6094% (1.00  10.0 10.00   5.98 222.00) =  99.999%  kept
          HG2   MET   92 - HA    PRO   52   9.96 +/- 1.28   0.544% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    PRO   52  11.19 +/- 1.29   0.367% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.96 +/- 1.05   0.094% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  18.49 +/- 0.89   0.010% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  29.77 +/- 0.87   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.02 +/- 1.16   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.38 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 222.0:
    * O T HG3   PRO   52 - HA    PRO   52   3.89 +/- 0.03  98.636% * 98.7160% (1.00  10.0 10.00   5.97 222.00) =  99.997%  kept
        T HG2   PRO   58 - HA    PRO   52  10.98 +/- 1.14   0.247% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    PRO   52   8.44 +/- 0.87   1.113% *  0.0305% (0.31   1.0  1.00   0.02   0.96) =   0.000%
          HB2   GLU-  14 - HA    PRO   52  30.17 +/- 2.04   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.64 +/- 1.32   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  27.24 +/- 1.04   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  27.59 +/- 0.73   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  40.14 +/- 2.03   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.78 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.08, residual support = 222.0:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.048% * 99.4673% (1.00  10.0 10.00   7.08 222.00) = 100.000%  kept
          HA    ALA  120 - HA    PRO   52  19.94 +/- 3.55   0.760% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    PRO   52  11.72 +/- 0.30   0.153% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  19.00 +/- 1.71   0.010% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  18.49 +/- 1.40   0.011% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  20.97 +/- 1.17   0.005% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  20.15 +/- 1.42   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.02 +/- 1.20   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  26.09 +/- 1.77   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  30.81 +/- 0.76   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.41 +/- 0.76   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.35 +/- 0.97   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.77 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 222.0:
    * O T HA    PRO   52 - HB2   PRO   52   2.69 +/- 0.13  99.408% * 99.4915% (1.00  10.0 10.00   5.09 222.00) = 100.000%  kept
          HA    ALA   91 - HB2   PRO   52   8.15 +/- 2.34   0.333% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB2   PRO   52   8.69 +/- 1.78   0.147% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  11.56 +/- 1.71   0.022% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.32 +/- 0.80   0.071% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.52 +/- 1.15   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  12.79 +/- 0.73   0.009% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.02 +/- 0.63   0.005% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.60 +/- 1.35   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  21.14 +/- 0.96   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.03, residual support = 222.0:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  97.182% * 98.7825% (1.00  10.0 10.00   6.03 222.00) =  99.999%  kept
          HG12  ILE  103 - HG2   MET   96   4.10 +/- 0.97   2.329% *  0.0260% (0.26   1.0  1.00   0.02   9.21) =   0.001%
          HG2   PRO   93 - HB2   PRO   52   5.32 +/- 1.70   0.322% *  0.0305% (0.31   1.0  1.00   0.02   0.96) =   0.000%
          HB    ILE  103 - HG2   MET   96   5.81 +/- 0.63   0.093% *  0.0119% (0.12   1.0  1.00   0.02   9.21) =   0.000%
          HG    LEU  123 - HB2   PRO   52  20.00 +/- 3.73   0.008% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   MET   96   7.06 +/- 0.91   0.031% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   7.94 +/- 0.78   0.014% *  0.0371% (0.38   1.0  1.00   0.02   1.73) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.18 +/- 0.63   0.011% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  15.53 +/- 1.45   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   8.91 +/- 0.68   0.006% *  0.0045% (0.05   1.0  1.00   0.02   0.13) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  18.38 +/- 1.35   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  12.64 +/- 2.22   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.71 +/- 0.60   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.20 +/- 1.47   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.05 +/- 1.01   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.61 +/- 0.57   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  17.54 +/- 1.61   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  20.97 +/- 1.56   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  14.06 +/- 0.86   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  14.66 +/- 0.79   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.79 +/- 1.77   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  21.95 +/- 1.30   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.22 +/- 1.83   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  21.77 +/- 1.66   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  24.97 +/- 2.14   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.69 +/- 1.53   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  24.86 +/- 0.99   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  23.48 +/- 1.33   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 222.0:
    * O T HG2   PRO   52 - HB2   PRO   52   2.44 +/- 0.24  99.636% * 99.2053% (1.00  10.0 10.00   6.04 222.00) = 100.000%  kept
          HG2   MET   92 - HB2   PRO   52   7.85 +/- 1.73   0.295% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   PRO   52   9.90 +/- 1.33   0.039% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  17.13 +/- 1.40   0.001% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.95 +/- 1.45   0.010% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  12.11 +/- 1.21   0.011% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  17.24 +/- 1.15   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.27 +/- 0.85   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  17.15 +/- 0.94   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.15 +/- 0.85   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.34 +/- 0.76   0.000% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  28.18 +/- 1.08   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.49 +/- 1.66   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  33.41 +/- 0.89   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.03, residual support = 222.0:
    * O T HG3   PRO   52 - HB2   PRO   52   2.68 +/- 0.22  99.144% * 98.0617% (1.00  10.0 10.00   6.03 222.00) =  99.999%  kept
          HB2   PRO   93 - HB2   PRO   52   6.64 +/- 1.39   0.805% *  0.0303% (0.31   1.0  1.00   0.02   0.96) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  11.35 +/- 0.98   0.024% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  18.00 +/- 1.68   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  19.12 +/- 2.05   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  11.86 +/- 0.44   0.015% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  14.73 +/- 0.89   0.004% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  15.18 +/- 1.21   0.004% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.17 +/- 1.22   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  22.93 +/- 1.54   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.35 +/- 1.82   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  21.90 +/- 1.74   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  26.34 +/- 1.44   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  26.03 +/- 1.08   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  31.08 +/- 2.28   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  39.32 +/- 1.86   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 222.0:
    * O T HD2   PRO   52 - HB2   PRO   52   3.87 +/- 0.06  98.747% * 99.0230% (1.00  10.0 10.00   6.48 222.00) = 100.000%  kept
          HA    ALA  120 - HB2   PRO   52  19.15 +/- 3.36   0.608% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PRO   52  11.60 +/- 0.61   0.145% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  10.99 +/- 0.81   0.213% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.57 +/- 0.98   0.008% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  16.69 +/- 2.14   0.019% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  12.65 +/- 0.66   0.087% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  16.62 +/- 1.69   0.019% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  15.06 +/- 1.00   0.031% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  20.65 +/- 1.40   0.005% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  15.41 +/- 0.65   0.026% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  19.25 +/- 1.23   0.007% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  21.20 +/- 1.54   0.004% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  17.16 +/- 0.65   0.014% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.38 +/- 0.89   0.019% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  20.17 +/- 0.78   0.005% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  19.42 +/- 1.00   0.007% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.27 +/- 1.92   0.015% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  25.50 +/- 1.36   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.23 +/- 0.82   0.013% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  21.12 +/- 1.26   0.004% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  28.96 +/- 1.23   0.001% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  27.71 +/- 0.98   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  29.74 +/- 1.05   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 222.0:
    * O T HA    PRO   52 - HB3   PRO   52   2.35 +/- 0.13  99.819% * 99.6990% (1.00  10.0 10.00   6.08 222.00) = 100.000%  kept
          HA    ALA   91 - HB3   PRO   52   8.29 +/- 2.12   0.108% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB3   PRO   52   9.00 +/- 1.88   0.047% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  12.50 +/- 1.32   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  16.94 +/- 1.28   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.43 +/- 0.86   0.015% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  13.26 +/- 0.66   0.003% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  22.32 +/- 0.86   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  20.67 +/- 1.52   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  18.43 +/- 0.77   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.03, residual support = 222.0:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.03 222.00) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  18.38 +/- 1.35   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  15.53 +/- 1.45   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.71 +/- 0.60   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  16.93 +/- 1.09   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  24.43 +/- 0.74   0.000% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 222.0:
    * O T HG2   PRO   52 - HB3   PRO   52   2.79 +/- 0.28  99.043% * 99.4355% (1.00  10.0 10.00   6.10 222.00) = 100.000%  kept
          HG2   MET   92 - HB3   PRO   52   8.67 +/- 1.29   0.206% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   PRO   52  10.49 +/- 1.21   0.081% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    LYS+  81   6.84 +/- 0.36   0.553% *  0.0091% (0.09   1.0  1.00   0.02   1.56) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  13.63 +/- 1.34   0.011% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  10.09 +/- 1.44   0.087% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  17.99 +/- 1.06   0.002% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  14.25 +/- 1.04   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  13.92 +/- 0.80   0.008% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  18.47 +/- 1.21   0.001% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.11 +/- 0.94   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  24.00 +/- 0.95   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.75 +/- 1.07   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  25.70 +/- 0.96   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 222.0:
    * O T HG3   PRO   52 - HB3   PRO   52   2.45 +/- 0.26  99.766% * 98.1909% (1.00  10.0 10.00   6.10 222.00) =  99.999%  kept
        T HB2   PRO   93 - HB3   PRO   52   7.94 +/- 0.89   0.138% *  0.3031% (0.31   1.0 10.00   0.02   0.96) =   0.000%
        T HG2   PRO   58 - HB3   PRO   52  12.25 +/- 1.18   0.009% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  13.97 +/- 1.55   0.005% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   8.49 +/- 0.70   0.078% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  23.02 +/- 1.16   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.56 +/- 1.23   0.003% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  30.71 +/- 1.91   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  22.76 +/- 1.37   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  27.73 +/- 1.28   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  17.68 +/- 0.83   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.14 +/- 0.80   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  25.52 +/- 1.05   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  40.68 +/- 2.03   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.55 +/- 0.74   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  34.01 +/- 2.55   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.995, support = 6.57, residual support = 220.8:
    * O T HD2   PRO   52 - HB3   PRO   52   4.02 +/- 0.06  51.798% * 97.2460% (1.00  10.0 10.00   6.58 222.00) =  99.444%  kept
          HB2   SER   82 - QB    LYS+  81   4.32 +/- 0.53  37.454% *  0.7490% (0.04   1.0  1.00   3.94  11.89) =   0.554%  kept
          QB    SER   85 - QB    LYS+  81   5.52 +/- 0.39   8.593% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   PRO   52  20.09 +/- 3.87   1.511% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB3   PRO   52  11.98 +/- 0.61   0.076% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  13.80 +/- 1.20   0.041% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   9.45 +/- 0.59   0.332% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  11.03 +/- 1.03   0.147% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  17.11 +/- 1.95   0.011% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  16.93 +/- 1.61   0.011% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  20.36 +/- 0.73   0.003% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  30.21 +/- 0.91   0.000% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  17.64 +/- 0.65   0.007% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  21.97 +/- 1.27   0.002% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  28.91 +/- 0.87   0.000% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  20.63 +/- 1.30   0.003% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  21.65 +/- 1.39   0.002% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.08 +/- 1.01   0.000% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  26.90 +/- 1.68   0.001% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  22.60 +/- 0.69   0.002% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  19.42 +/- 0.57   0.004% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  25.51 +/- 1.26   0.001% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  26.26 +/- 0.57   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.26 +/- 1.76   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.45 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.0:
    * O T HA    PRO   52 - HG2   PRO   52   3.96 +/- 0.03  91.390% * 99.8323% (1.00  10.0 10.00   5.98 222.00) =  99.997%  kept
          HA    ALA   91 - HG2   PRO   52   6.95 +/- 2.06   8.166% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG2   PRO   52  10.56 +/- 1.49   0.334% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  12.57 +/- 1.22   0.104% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  20.03 +/- 0.76   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 222.0:
    * O T HB2   PRO   52 - HG2   PRO   52   2.44 +/- 0.24  99.998% * 99.5699% (1.00  10.0 10.00   6.04 222.00) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  17.13 +/- 1.40   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.05 +/- 1.12   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 222.0:
    * O T HB3   PRO   52 - HG2   PRO   52   2.79 +/- 0.28  96.072% * 99.2796% (1.00  10.0 10.00   6.10 222.00) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   6.05 +/- 1.69   3.654% *  0.0306% (0.31   1.0  1.00   0.02   0.96) =   0.001%
          HG2   ARG+  54 - HG2   PRO   52   8.37 +/- 0.46   0.166% *  0.0373% (0.38   1.0  1.00   0.02   1.73) =   0.000%
          HG    LEU  123 - HG2   PRO   52  21.60 +/- 3.82   0.058% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  13.63 +/- 1.34   0.011% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  11.33 +/- 1.95   0.034% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.12 +/- 1.38   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  20.92 +/- 1.22   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  18.43 +/- 1.10   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  21.73 +/- 0.93   0.001% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  21.89 +/- 1.26   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  25.79 +/- 2.12   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  24.34 +/- 0.88   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  23.66 +/- 0.96   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 222.0:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.956% * 98.7160% (1.00  10.0 10.00   5.99 222.00) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   6.85 +/- 1.25   0.043% *  0.0305% (0.31   1.0  1.00   0.02   0.96) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  13.00 +/- 1.13   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  20.24 +/- 1.49   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  28.99 +/- 1.85   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  27.04 +/- 1.41   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  25.27 +/- 0.87   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  39.12 +/- 2.02   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 222.0:
    * O T HD2   PRO   52 - HG2   PRO   52   2.38 +/- 0.20  99.958% * 99.4673% (1.00  10.0 10.00   6.48 222.00) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.72 +/- 0.71   0.028% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  15.56 +/- 1.73   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  20.75 +/- 3.38   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  15.17 +/- 1.44   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  19.28 +/- 1.31   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  21.37 +/- 1.56   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  19.06 +/- 1.10   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  28.25 +/- 0.99   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  25.73 +/- 1.34   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  26.68 +/- 0.78   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  29.19 +/- 0.90   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 222.0:
    * O T HA    PRO   52 - HG3   PRO   52   3.89 +/- 0.03  89.818% * 98.8988% (1.00  10.0 10.00   5.97 222.00) =  99.994%  kept
          HA    ALA   91 - HG3   PRO   52   7.02 +/- 2.45   9.011% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HA    PRO   52 - HG2   PRO   58  10.98 +/- 1.14   0.234% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG2   PRO   58  10.61 +/- 2.38   0.460% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG3   PRO   52  10.79 +/- 1.62   0.265% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  12.65 +/- 2.30   0.128% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  13.25 +/- 1.47   0.067% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.68 +/- 1.35   0.011% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  21.07 +/- 1.29   0.004% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.99 +/- 0.83   0.002% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.31 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.03, residual support = 222.0:
    * O T HB2   PRO   52 - HG3   PRO   52   2.68 +/- 0.22  99.219% * 98.4337% (1.00  10.0 10.00   6.03 222.00) =  99.999%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.42 +/- 0.89   0.753% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  11.35 +/- 0.98   0.024% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  18.00 +/- 1.68   0.001% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  19.12 +/- 2.05   0.001% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  17.95 +/- 1.08   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 222.0:
    * O T HB3   PRO   52 - HG3   PRO   52   2.45 +/- 0.26  99.453% * 97.4419% (1.00  10.0 10.00   6.10 222.00) =  99.999%  kept
        T HG2   PRO   93 - HG3   PRO   52   7.12 +/- 1.40   0.266% *  0.3008% (0.31   1.0 10.00   0.02   0.96) =   0.001%
        T HG2   PRO   93 - HG2   PRO   58   9.52 +/- 1.73   0.047% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   PRO   58  12.25 +/- 1.18   0.009% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  22.25 +/- 4.17   0.049% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.72 +/- 0.52   0.067% *  0.0366% (0.38   1.0  1.00   0.02   1.73) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58  10.02 +/- 1.60   0.040% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  12.29 +/- 1.25   0.012% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  11.06 +/- 0.95   0.018% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  13.97 +/- 1.55   0.005% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.38 +/- 2.33   0.026% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  15.37 +/- 2.37   0.003% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.76 +/- 1.55   0.001% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  20.02 +/- 1.52   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  21.75 +/- 1.59   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.24 +/- 1.56   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.02 +/- 1.16   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  22.21 +/- 1.64   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  21.52 +/- 1.76   0.000% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  22.76 +/- 1.25   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  22.64 +/- 1.62   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.90 +/- 1.88   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.78 +/- 1.31   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  26.82 +/- 2.03   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.62 +/- 0.92   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  25.34 +/- 1.28   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.10 +/- 1.95   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.39 +/- 1.30   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.979, support = 5.95, residual support = 220.2:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  83.774% * 86.8129% (1.00  10.0 10.00   5.99 222.00) =  97.646%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.31 +/- 0.00  16.167% * 10.8440% (0.12  10.0 10.00   4.29 146.95) =   2.354%  kept
          HG2   MET   92 - HG3   PRO   52   7.31 +/- 1.72   0.052% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.00 +/- 1.13   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  10.13 +/- 2.01   0.005% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  11.74 +/- 1.13   0.001% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.55 +/- 0.70   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  16.09 +/- 1.43   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  15.33 +/- 1.52   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  31.60 +/- 1.57   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  22.92 +/- 1.13   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.01 +/- 1.23   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.44 +/- 1.35   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.82 +/- 0.89   0.000% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 222.0:
    * O T HD2   PRO   52 - HG3   PRO   52   2.78 +/- 0.20  99.807% * 96.1754% (1.00  10.0 10.00   6.48 222.00) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  13.14 +/- 0.82   0.011% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52  10.26 +/- 0.90   0.048% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  21.39 +/- 3.76   0.087% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.79 +/- 0.44   0.011% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  15.95 +/- 2.12   0.004% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  12.27 +/- 1.06   0.020% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  15.50 +/- 1.73   0.004% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  17.91 +/- 0.78   0.002% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  29.29 +/- 1.27   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  16.15 +/- 0.98   0.003% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  29.06 +/- 1.18   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  19.47 +/- 1.26   0.001% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  19.74 +/- 1.66   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  27.70 +/- 1.25   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  22.42 +/- 1.42   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  24.08 +/- 1.87   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  20.21 +/- 1.49   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  28.80 +/- 0.90   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  28.35 +/- 1.01   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  23.76 +/- 1.42   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  30.29 +/- 1.31   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  26.84 +/- 1.65   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  28.70 +/- 1.14   0.000% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYSS  53 - HA    CYSS  53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 43.1:
    * O T HB2   CYSS  53 - HA    CYSS  53   2.80 +/- 0.10  98.647% * 99.5207% (1.00  10.0 10.00   2.96  43.08) =  99.999%  kept
          HD3   PRO   52 - HA    CYSS  53   6.25 +/- 0.03   0.824% *  0.0684% (0.69   1.0  1.00   0.02  51.86) =   0.001%
          HD2   PRO   58 - HA    CYSS  53   7.07 +/- 0.94   0.527% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYSS  53  21.26 +/- 0.74   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYSS  53  19.65 +/- 0.78   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYSS  53  22.51 +/- 0.80   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYSS  53  26.52 +/- 0.85   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.16, residual support = 43.1:
    * O T HB3   CYSS  53 - HA    CYSS  53   2.25 +/- 0.08  82.032% * 99.5685% (1.00  10.0 10.00   3.16  43.08) =  99.979%  kept
          HD3   PRO   93 - HA    CYSS  53   3.97 +/- 1.55  15.916% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.018%
          QB    PHE   55 - HA    CYSS  53   4.24 +/- 0.31   1.932% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HA    CYSS  53   7.85 +/- 0.30   0.046% *  0.0987% (0.99   1.0  1.00   0.02  31.26) =   0.000%
          HB2   PHE   59 - HA    CYSS  53   7.61 +/- 0.89   0.073% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYSS  53  19.98 +/- 1.53   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 43.1:
    * O T HA    CYSS  53 - HB2   CYSS  53   2.80 +/- 0.10  99.993% * 98.9901% (1.00  10.0 10.00   2.96  43.08) = 100.000%  kept
        T HA    GLU-  25 - HB2   CYSS  53  22.99 +/- 0.90   0.000% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYSS  53  18.67 +/- 1.21   0.001% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   CYSS  53  17.19 +/- 1.03   0.002% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYSS  53  16.11 +/- 1.19   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYSS  53  21.97 +/- 0.90   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYSS  53 - HB2   CYSS  53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.22, residual support = 43.1:
    * O T HB3   CYSS  53 - HB2   CYSS  53   1.75 +/- 0.00  99.226% * 99.5685% (1.00  10.0 10.00   3.22  43.08) =  99.999%  kept
          HD3   PRO   93 - HB2   CYSS  53   5.15 +/- 1.71   0.701% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HB2   CYSS  53   6.13 +/- 0.25   0.056% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYSS  53   7.74 +/- 0.30   0.014% *  0.0987% (0.99   1.0  1.00   0.02  31.26) =   0.000%
          HB2   PHE   59 - HB2   CYSS  53   9.81 +/- 0.85   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYSS  53  21.27 +/- 1.51   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.16, residual support = 43.1:
    * O T HA    CYSS  53 - HB3   CYSS  53   2.25 +/- 0.08  99.997% * 99.7562% (1.00  10.0 10.00   3.16  43.08) = 100.000%  kept
          HA    ILE   19 - HB3   CYSS  53  16.22 +/- 0.93   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYSS  53  15.06 +/- 1.25   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYSS  53  22.50 +/- 0.84   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYSS  53  21.33 +/- 0.79   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYSS  53  18.82 +/- 1.12   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.22, residual support = 43.1:
    * O T HB2   CYSS  53 - HB3   CYSS  53   1.75 +/- 0.00  99.953% * 99.6975% (1.00  10.0 10.00   3.22  43.08) = 100.000%  kept
          HD3   PRO   52 - HB3   CYSS  53   6.77 +/- 0.17   0.030% *  0.0685% (0.69   1.0  1.00   0.02  51.86) =   0.000%
          HD2   PRO   58 - HB3   CYSS  53   7.91 +/- 1.14   0.016% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYSS  53  18.56 +/- 0.95   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYSS  53  21.06 +/- 0.83   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYSS  53  20.05 +/- 0.97   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYSS  53  25.96 +/- 0.88   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYSS  53 - HB3   CYSS  53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 168.9:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.75 +/- 0.10  96.030% * 98.6035% (1.00  10.0 10.00   5.72 168.92) =  99.999%  kept
          HB    ILE  119 - HA    LEU  115   5.47 +/- 0.90   2.440% *  0.0263% (0.27   1.0  1.00   0.02  10.32) =   0.001%
          HB2   PRO   93 - HA    LEU  115   8.10 +/- 1.87   1.337% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ARG+  54   9.22 +/- 1.10   0.087% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   9.25 +/- 1.24   0.086% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.40 +/- 0.92   0.005% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  15.07 +/- 1.65   0.006% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.24 +/- 1.84   0.003% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  22.51 +/- 1.90   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  21.84 +/- 2.18   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  26.48 +/- 2.65   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  20.37 +/- 1.22   0.001% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.26 +/- 1.64   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.05 +/- 1.30   0.001% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.85 +/- 2.03   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  26.43 +/- 1.45   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  23.45 +/- 1.58   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  31.35 +/- 1.63   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  36.33 +/- 2.53   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  35.00 +/- 1.88   0.000% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.13 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 168.9:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.69 +/- 0.61  97.486% * 96.1276% (1.00  10.0 10.00   5.69 168.92) =  99.998%  kept
        T HB3   PRO   52 - HA    ARG+  54   8.01 +/- 0.21   0.273% *  0.3608% (0.38   1.0 10.00   0.02   1.73) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.71 +/- 0.45   0.813% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   8.30 +/- 2.31   0.444% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.35 +/- 1.56   0.309% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.23 +/- 0.65   0.544% *  0.0122% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  14.66 +/- 1.59   0.011% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  12.32 +/- 1.17   0.020% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  18.62 +/- 1.09   0.002% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  16.93 +/- 2.22   0.004% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.49 +/- 0.87   0.068% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  22.99 +/- 1.32   0.000% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  16.33 +/- 1.33   0.004% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  20.91 +/- 1.22   0.001% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.64 +/- 1.66   0.006% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  18.53 +/- 1.02   0.002% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  19.64 +/- 1.64   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  17.47 +/- 1.09   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.30 +/- 2.53   0.002% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.33 +/- 1.89   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  15.49 +/- 1.45   0.006% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  25.24 +/- 1.20   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  21.77 +/- 1.08   0.001% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.74 +/- 1.85   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  24.12 +/- 1.35   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  20.98 +/- 1.28   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  24.10 +/- 1.73   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  31.54 +/- 1.78   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.16 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 5.47, residual support = 159.3:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.77 +/- 0.76  63.693% * 72.0869% (1.00 10.00   5.55 168.92) =  93.641%  kept
          HB3   CYSS  53 - HA    ARG+  54   5.27 +/- 0.26  10.543% * 14.8614% (0.99  1.00   4.16  31.26) =   3.196%  kept
          QB    PHE   55 - HA    ARG+  54   5.07 +/- 0.07  12.316% * 12.5742% (0.80  1.00   4.36   3.80) =   3.158%  kept
          HB2   PHE   59 - HA    LEU  115   5.76 +/- 0.96  10.253% *  0.0117% (0.16  1.00   0.02  28.77) =   0.002%
          HD3   PRO   93 - HA    ARG+  54   8.15 +/- 1.36   1.199% *  0.0646% (0.90  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    ARG+  54   9.25 +/- 1.39   0.543% *  0.0379% (0.53  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HA    LEU  115   8.79 +/- 1.03   0.840% *  0.0178% (0.25  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    LEU  115   9.97 +/- 1.70   0.473% *  0.0199% (0.28  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  15.76 +/- 1.25   0.014% *  0.2218% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HA    LEU  115  11.40 +/- 0.99   0.106% *  0.0220% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.51 +/- 1.86   0.018% *  0.0192% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  21.11 +/- 1.18   0.002% *  0.0625% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 168.9:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.75 +/- 0.10  99.957% * 98.5625% (1.00  10.0 10.00   5.72 168.92) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.40 +/- 0.92   0.005% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  12.42 +/- 1.61   0.019% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  14.99 +/- 1.94   0.006% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  26.86 +/- 3.50   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.98 +/- 1.30   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.42 +/- 0.91   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  26.48 +/- 2.65   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  17.04 +/- 1.14   0.002% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  17.32 +/- 2.88   0.003% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  26.43 +/- 1.45   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  27.08 +/- 1.98   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  18.14 +/- 2.29   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  29.30 +/- 2.25   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  25.68 +/- 3.27   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  36.33 +/- 2.53   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  24.77 +/- 2.67   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.54 +/- 1.91   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  35.00 +/- 1.88   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  31.15 +/- 2.05   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  35.54 +/- 2.33   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.96 +/- 1.18   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  30.25 +/- 4.93   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  27.92 +/- 2.91   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  30.42 +/- 1.77   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  36.60 +/- 2.62   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.52 +/- 1.98   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 168.9:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.39 +/- 0.22  98.013% * 97.3460% (1.00  10.0 10.00   4.95 168.92) =  99.998%  kept
          QB    PHE   55 - HB2   ARG+  54   4.80 +/- 0.35   1.709% *  0.0779% (0.80   1.0  1.00   0.02   3.80) =   0.001%
        T HD3   PRO   93 - HB2   ARG+  54   8.78 +/- 1.57   0.065% *  0.8730% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   CYSS  53 - HB2   ARG+  54   7.06 +/- 0.48   0.195% *  0.0965% (0.99   1.0  1.00   0.02  31.26) =   0.000%
          HB2   PHE   59 - HB2   ARG+  54  11.12 +/- 1.40   0.015% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  15.31 +/- 1.66   0.002% *  0.1242% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  23.36 +/- 1.43   0.000% *  0.8444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  21.37 +/- 3.04   0.000% *  0.0816% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  29.16 +/- 4.13   0.000% *  0.1432% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  28.04 +/- 1.72   0.000% *  0.1284% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HB2   GLU-  14  24.38 +/- 1.78   0.000% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  23.13 +/- 1.14   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  26.07 +/- 1.77   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  38.92 +/- 4.10   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  37.99 +/- 1.66   0.000% *  0.0844% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HG2   MET   11  34.53 +/- 1.71   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  34.67 +/- 1.72   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  32.21 +/- 1.60   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 168.9:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.77 +/- 0.76  99.951% * 99.0328% (1.00 10.00   5.55 168.92) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.76 +/- 1.25   0.029% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  21.01 +/- 1.21   0.006% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.78 +/- 1.01   0.011% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  27.84 +/- 3.78   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  28.02 +/- 2.62   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  30.15 +/- 3.06   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  32.32 +/- 2.53   0.000% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  36.38 +/- 3.17   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 168.9:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.39 +/- 0.22  99.991% * 97.9068% (1.00  10.0 10.00   4.95 168.92) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  12.26 +/- 1.09   0.007% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  24.75 +/- 3.41   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.76 +/- 2.15   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  18.67 +/- 1.88   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.52 +/- 3.08   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  29.16 +/- 4.13   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  26.28 +/- 2.98   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  38.92 +/- 4.10   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  34.49 +/- 2.55   0.000% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 168.9:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.83 +/- 0.17  99.778% * 97.2335% (1.00  10.0 10.00   4.79 168.92) =  99.999%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.00 +/- 0.91   0.136% *  0.3649% (0.38   1.0 10.00   0.02   1.73) =   0.001%
          HB    ILE   56 - HD2   ARG+  54   9.49 +/- 0.76   0.081% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  20.09 +/- 1.20   0.001% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  25.86 +/- 2.68   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  18.85 +/- 1.55   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  20.15 +/- 1.47   0.001% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  22.54 +/- 2.14   0.001% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  21.82 +/- 3.17   0.001% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  27.00 +/- 3.07   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.13 +/- 1.84   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.68 +/- 2.97   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  27.09 +/- 2.04   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  34.71 +/- 2.90   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 20.1:
    * O T QB    PHE   55 - HA    PHE   55   2.49 +/- 0.07  98.878% * 99.2105% (1.00  10.0 10.00   3.50  20.12) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.79 +/- 0.55   0.765% *  0.0794% (0.80   1.0  1.00   0.02   3.80) =   0.001%
          HD3   PRO   93 - HA    PHE   55   8.33 +/- 1.74   0.135% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HA    PHE   55   7.91 +/- 0.23   0.102% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    PHE   55   8.61 +/- 1.27   0.093% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  11.61 +/- 1.23   0.012% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.80 +/- 0.93   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.67 +/- 2.16   0.009% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HA    VAL   42  15.24 +/- 0.60   0.002% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  16.04 +/- 0.44   0.001% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  21.55 +/- 1.21   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  22.20 +/- 2.42   0.000% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 20.1:
    * O T HA    PHE   55 - QB    PHE   55   2.49 +/- 0.07  94.781% * 99.2581% (1.00  10.0 10.00   3.50  20.12) =  99.995%  kept
          HA    ALA  110 - QB    PHE   55   5.63 +/- 3.50   5.214% *  0.0861% (0.87   1.0  1.00   0.02   0.49) =   0.005%
        T HA    VAL   42 - QB    PHE   55  16.80 +/- 0.93   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  14.46 +/- 1.34   0.003% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 123.2:
    * O T HB    ILE   56 - HA    ILE   56   2.62 +/- 0.14  99.111% * 98.8500% (1.00  10.0 10.00   4.54 123.22) =  99.996%  kept
        T HB3   PRO   58 - HA    ILE   56   6.13 +/- 0.43   0.705% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HA    ILE   56   8.03 +/- 0.84   0.152% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.96 +/- 1.29   0.014% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.44 +/- 2.59   0.010% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  15.22 +/- 2.58   0.004% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  18.78 +/- 1.46   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.51 +/- 1.31   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.47 +/- 1.51   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.61 +/- 1.57   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.95 +/- 2.31   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.53 +/- 1.25   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  28.66 +/- 2.01   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.7, residual support = 123.2:
    * O   QG2   ILE   56 - HA    ILE   56   2.92 +/- 0.37  99.943% * 98.4757% (1.00  10.0  1.00   4.70 123.22) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  12.06 +/- 1.74   0.037% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  13.73 +/- 1.09   0.013% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.89 +/- 1.56   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.30 +/- 1.39   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  30.18 +/- 2.41   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  24.30 +/- 2.72   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  21.23 +/- 0.97   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  20.28 +/- 1.40   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  22.12 +/- 1.68   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.2:
    * O T QG1   ILE   56 - HA    ILE   56   2.58 +/- 0.49  99.951% * 97.9351% (1.00  10.0 10.00   3.76 123.22) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  14.48 +/- 2.51   0.005% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  10.78 +/- 1.26   0.041% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  22.23 +/- 2.60   0.000% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  21.16 +/- 2.24   0.000% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  17.84 +/- 1.86   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  18.45 +/- 1.47   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.07 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 123.2:
    * O T HA    ILE   56 - HB    ILE   56   2.62 +/- 0.14  99.638% * 98.4172% (1.00  10.0 10.00   4.54 123.22) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   7.44 +/- 1.13   0.327% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU  123 - HB    ILE   56  16.62 +/- 1.94   0.002% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB    ILE   56  10.49 +/- 1.11   0.031% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  22.02 +/- 1.86   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  21.39 +/- 1.58   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  27.37 +/- 1.47   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  22.19 +/- 1.33   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.96 +/- 1.61   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 123.2:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  99.984% * 98.4757% (1.00  10.0 10.00   5.55 123.22) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  10.43 +/- 2.31   0.013% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  12.86 +/- 0.97   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.13 +/- 1.12   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.84 +/- 0.98   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  29.35 +/- 1.84   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.47 +/- 2.00   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  20.34 +/- 0.94   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.83 +/- 1.21   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  21.44 +/- 1.08   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 123.2:
    * O T QG1   ILE   56 - HB    ILE   56   2.31 +/- 0.13  99.936% * 98.7886% (1.00  10.0 10.00   4.53 123.22) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  13.06 +/- 2.28   0.005% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   9.00 +/- 1.73   0.056% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  20.47 +/- 1.44   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  15.92 +/- 2.34   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  17.40 +/- 1.14   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.32 +/- 1.88   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 123.2:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  99.662% * 98.4311% (1.00  10.0 10.00   5.55 123.22) = 100.000%  kept
          HG2   ARG+  54 - QG2   ILE   56   7.04 +/- 0.89   0.156% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   6.77 +/- 0.50   0.101% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   7.89 +/- 1.56   0.053% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.67 +/- 2.18   0.018% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.75 +/- 2.08   0.005% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  13.72 +/- 1.73   0.002% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  22.58 +/- 1.88   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.12 +/- 2.01   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  16.76 +/- 2.05   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.04 +/- 1.25   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.65 +/- 2.01   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.11 +/- 1.59   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.7, residual support = 123.2:
    * O T QG1   ILE   56 - QG2   ILE   56   2.27 +/- 0.21  99.778% * 98.7886% (1.00  10.0 10.00   4.70 123.22) = 100.000%  kept
        T QD    LYS+ 106 - QG2   ILE   56  10.79 +/- 1.92   0.013% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG2   ILE   56   6.77 +/- 1.48   0.200% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.65 +/- 1.75   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  12.51 +/- 2.31   0.005% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  13.38 +/- 2.00   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.26 +/- 2.14   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.2:
    * O T HA    ILE   56 - QG1   ILE   56   2.58 +/- 0.49  97.536% * 98.1263% (1.00  10.0 10.00   3.76 123.22) =  99.999%  kept
          HA    PRO   58 - QG1   ILE   56   5.94 +/- 1.09   2.378% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP- 113 - QG1   ILE   56   8.97 +/- 1.00   0.067% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  13.52 +/- 1.62   0.015% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  18.37 +/- 1.89   0.001% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  17.78 +/- 1.65   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  18.70 +/- 1.21   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  23.23 +/- 1.52   0.000% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.72 +/- 1.45   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 123.2:
    * O T HB    ILE   56 - QG1   ILE   56   2.31 +/- 0.13  99.270% * 98.6066% (1.00  10.0 10.00   4.53 123.22) =  99.999%  kept
          HB3   PRO   58 - QG1   ILE   56   6.38 +/- 1.18   0.574% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG1   ILE   56  10.02 +/- 2.23   0.033% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.70 +/- 1.53   0.043% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.48 +/- 1.18   0.065% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  11.52 +/- 2.00   0.010% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  15.40 +/- 1.67   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.27 +/- 1.26   0.001% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.31 +/- 1.09   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  16.19 +/- 1.39   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  17.33 +/- 1.94   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.44 +/- 0.98   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  23.57 +/- 1.49   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.7, residual support = 123.2:
    * O T QG2   ILE   56 - QG1   ILE   56   2.27 +/- 0.21  99.956% * 98.4757% (1.00  10.0 10.00   4.70 123.22) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   9.66 +/- 1.77   0.030% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  11.07 +/- 0.67   0.009% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  16.10 +/- 1.14   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.72 +/- 1.07   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  19.58 +/- 2.12   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  24.89 +/- 1.91   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.98 +/- 0.81   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.78 +/- 1.13   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.97 +/- 1.19   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 6.52, residual support = 141.9:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  35.902% * 97.5352% (0.95  10.0 10.00   6.70 146.95) =  96.577%  kept
          HA    ILE   56 - HD2   PRO   58   3.40 +/- 0.49  64.024% *  1.9383% (0.26   1.0  1.00   1.43   0.02) =   3.423%  kept
          HA    THR   46 - HD2   PRO   58  11.87 +/- 1.55   0.055% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  16.03 +/- 1.34   0.008% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  16.58 +/- 1.41   0.007% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  21.16 +/- 1.31   0.001% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  22.78 +/- 1.41   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  27.76 +/- 1.75   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  23.84 +/- 1.52   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.66 +/- 1.07   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  28.78 +/- 1.10   0.000% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.94, residual support = 146.9:
    * O T HB2   PRO   58 - HD2   PRO   58   4.12 +/- 0.00  99.319% * 99.3830% (0.95  10.0 10.00   6.94 146.95) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.26 +/- 1.61   0.400% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.49 +/- 1.24   0.264% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  18.12 +/- 1.63   0.016% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  28.64 +/- 1.69   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  30.63 +/- 1.09   0.001% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.07 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.81, residual support = 144.7:
    * O T HB3   PRO   58 - HD2   PRO   58   3.53 +/- 0.00  78.356% * 91.7884% (0.79  10.0 10.00   6.90 146.95) =  98.455%  kept
          HB    ILE   56 - HD2   PRO   58   4.91 +/- 0.94  19.570% *  5.7639% (0.79   1.0  1.00   1.26   0.02) =   1.544%  kept
          HG2   ARG+  54 - HD2   PRO   58   7.69 +/- 1.50   2.017% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   PRO   58  13.69 +/- 1.42   0.028% *  0.1061% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  22.67 +/- 0.90   0.001% *  1.0989% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.35 +/- 1.86   0.015% *  0.0452% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  28.95 +/- 1.24   0.000% *  1.0395% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  16.87 +/- 1.80   0.008% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.66 +/- 1.35   0.002% *  0.0412% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  21.02 +/- 1.35   0.002% *  0.0339% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.39 +/- 0.89   0.001% *  0.0274% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  34.27 +/- 1.99   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 146.9:
    * O T HG2   PRO   58 - HD2   PRO   58   2.91 +/- 0.00  99.872% * 98.7160% (0.95  10.0 10.00   6.62 146.95) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  12.22 +/- 0.89   0.020% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.72 +/- 1.59   0.106% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  20.30 +/- 0.87   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  25.05 +/- 1.91   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  25.99 +/- 0.90   0.000% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  34.27 +/- 1.90   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  25.62 +/- 1.64   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 146.9:
    * O T HB2   PRO   58 - HA    PRO   58   2.73 +/- 0.00  99.967% * 99.2784% (1.00  10.0 10.00   6.28 146.95) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  11.72 +/- 1.67   0.025% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.80 +/- 1.28   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.26 +/- 0.98   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.82 +/- 1.35   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  30.01 +/- 1.18   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.16, residual support = 146.9:
    * O T HB3   PRO   58 - HA    PRO   58   2.30 +/- 0.00  99.807% * 98.4544% (0.84  10.0 10.00   6.16 146.95) =  99.998%  kept
        T HB    ILE   56 - HA    PRO   58   7.44 +/- 1.13   0.174% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HA    PRO   58  10.58 +/- 1.27   0.015% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  15.72 +/- 1.31   0.001% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.50 +/- 1.30   0.001% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.04 +/- 1.46   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  21.29 +/- 0.75   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  26.51 +/- 1.13   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  22.83 +/- 1.07   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.49 +/- 0.86   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  22.90 +/- 0.97   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  31.20 +/- 2.01   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 146.9:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.703% * 98.7160% (1.00  10.0 10.00   5.98 146.95) = 100.000%  kept
        T HG3   PRO   52 - HA    PRO   58  15.11 +/- 0.75   0.034% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  11.10 +/- 0.98   0.237% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.96 +/- 0.95   0.017% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  22.29 +/- 2.01   0.004% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  31.16 +/- 1.84   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  24.51 +/- 0.74   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  25.57 +/- 1.62   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.25 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 146.9:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.808% * 98.5403% (0.95  10.0 10.00   6.70 146.95) = 100.000%  kept
          HB2   CYSS  53 - HA    PRO   58  11.08 +/- 1.04   0.189% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.95 +/- 1.24   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  26.02 +/- 0.97   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  25.72 +/- 1.14   0.001% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 146.9:
    * O T HA    PRO   58 - HB2   PRO   58   2.73 +/- 0.00  98.823% * 99.4356% (1.00  10.0 10.00   6.28 146.95) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   5.84 +/- 0.48   1.155% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  13.37 +/- 1.44   0.010% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  14.48 +/- 1.05   0.005% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  15.12 +/- 1.47   0.004% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  20.04 +/- 1.27   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  21.27 +/- 1.57   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  26.51 +/- 1.79   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  22.38 +/- 1.60   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  28.09 +/- 1.15   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.68 +/- 1.16   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.47, residual support = 146.9:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.948% * 98.9371% (0.84  10.0 10.00   4.47 146.95) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.16 +/- 1.21   0.049% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  11.45 +/- 1.54   0.002% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  16.49 +/- 1.12   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  15.34 +/- 1.78   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  24.00 +/- 0.95   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  15.43 +/- 2.18   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  22.92 +/- 0.74   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  27.13 +/- 1.43   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  23.30 +/- 0.99   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.88 +/- 0.88   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  32.87 +/- 2.04   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 146.9:
    * O T HG2   PRO   58 - HB2   PRO   58   2.31 +/- 0.00  99.991% * 98.7160% (1.00  10.0 10.00   4.29 146.95) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.55 +/- 0.70   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.64 +/- 1.05   0.007% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.53 +/- 1.15   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  24.22 +/- 1.89   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  32.79 +/- 1.85   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  25.84 +/- 0.70   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  27.19 +/- 1.42   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.94, residual support = 146.9:
    * O T HD2   PRO   58 - HB2   PRO   58   4.12 +/- 0.00  99.839% * 98.5403% (0.95  10.0 10.00   6.94 146.95) = 100.000%  kept
          HB2   CYSS  53 - HB2   PRO   58  12.25 +/- 0.75   0.157% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  26.45 +/- 1.57   0.002% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.80 +/- 1.30   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  26.88 +/- 1.04   0.001% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.19 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.16, residual support = 146.9:
    * O T HA    PRO   58 - HB3   PRO   58   2.30 +/- 0.00  99.681% * 99.1888% (0.84  10.0 10.00   6.16 146.95) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   6.13 +/- 0.43   0.313% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  14.52 +/- 1.29   0.002% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  15.15 +/- 1.63   0.002% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  14.78 +/- 1.53   0.002% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  20.28 +/- 1.49   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  22.40 +/- 1.33   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  26.69 +/- 2.04   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  23.60 +/- 1.35   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  28.91 +/- 1.08   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  28.62 +/- 0.91   0.000% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.47, residual support = 146.9:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.995% * 99.1367% (0.84  10.0 10.00   4.47 146.95) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.08 +/- 2.25   0.004% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  18.18 +/- 1.49   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.81 +/- 1.11   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  28.34 +/- 1.54   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  32.07 +/- 1.11   0.000% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.18, residual support = 146.9:
    * O T HG2   PRO   58 - HB3   PRO   58   2.96 +/- 0.00  99.969% * 97.0168% (0.84  10.0 10.00   4.18 146.95) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.54 +/- 0.78   0.005% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  12.18 +/- 1.11   0.023% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  24.31 +/- 2.18   0.000% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  18.36 +/- 1.11   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  32.97 +/- 2.05   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  26.37 +/- 0.74   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  27.48 +/- 1.53   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.56 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.9, residual support = 146.9:
    * O T HD2   PRO   58 - HB3   PRO   58   3.53 +/- 0.00  99.924% * 98.5403% (0.79  10.0 10.00   6.90 146.95) = 100.000%  kept
          HB2   CYSS  53 - HB3   PRO   58  11.99 +/- 0.98   0.075% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  27.62 +/- 1.34   0.000% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  27.81 +/- 1.07   0.000% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  27.39 +/- 1.05   0.000% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 146.9:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  43.781% * 98.1964% (1.00  10.0 10.00   5.98 146.95) =  99.963%  kept
          HA    ILE   56 - HG2   PRO   58   3.86 +/- 0.43  54.415% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.035%
          HA    THR   46 - HG3   PRO   52   8.08 +/- 1.35   1.538% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HA    PRO   58 - HG3   PRO   52  15.11 +/- 0.75   0.015% *  0.7950% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52  10.49 +/- 0.59   0.136% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  13.52 +/- 1.14   0.030% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.17 +/- 3.79   0.040% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  14.45 +/- 1.30   0.025% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  16.53 +/- 1.27   0.011% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  21.43 +/- 1.13   0.002% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  22.00 +/- 1.73   0.002% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  22.76 +/- 1.56   0.002% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  25.77 +/- 1.08   0.001% *  0.0767% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  26.84 +/- 1.37   0.001% *  0.0793% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  28.01 +/- 1.61   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.94 +/- 1.83   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  29.24 +/- 1.20   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  33.41 +/- 1.61   0.000% *  0.0793% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.40 +/- 1.37   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.10 +/- 1.13   0.001% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.42 +/- 1.23   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  30.55 +/- 1.17   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.33 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.656, support = 4.96, residual support = 176.4:
    * O T HB2   PRO   58 - HG2   PRO   58   2.31 +/- 0.00  16.174% * 87.8577% (1.00  10.0 10.00   4.29 146.95) =  60.706%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  83.812% * 10.9746% (0.12  10.0 10.00   5.99 222.00) =  39.294%  kept
          HB2   GLN  116 - HG2   PRO   58   8.97 +/- 1.97   0.012% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.55 +/- 0.70   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.00 +/- 1.13   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.35 +/- 2.59   0.002% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.08 +/- 1.94   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.36 +/- 1.25   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.66 +/- 2.04   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.44 +/- 1.35   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.47 +/- 1.23   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.82 +/- 0.89   0.000% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.17, residual support = 146.9:
    * O T HB3   PRO   58 - HG2   PRO   58   2.96 +/- 0.00  75.224% * 96.9979% (0.84  10.0 10.00   4.18 146.95) =  99.969%  kept
          HB2   MET   92 - HG3   PRO   52   5.27 +/- 2.25  18.517% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.023%
          HB    ILE   56 - HG2   PRO   58   5.26 +/- 1.15   5.768% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          HB    ILE   56 - HG3   PRO   52   9.10 +/- 1.45   0.172% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  13.97 +/- 1.55   0.009% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  15.54 +/- 0.78   0.004% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58  10.02 +/- 1.60   0.124% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.72 +/- 0.52   0.120% *  0.0145% (0.12   1.0  1.00   0.02   1.73) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.38 +/- 2.33   0.032% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  15.00 +/- 1.20   0.005% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  14.72 +/- 2.10   0.008% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  13.92 +/- 1.48   0.007% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.02 +/- 1.16   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  15.37 +/- 2.37   0.006% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  23.28 +/- 0.92   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  22.83 +/- 1.30   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.78 +/- 1.31   0.001% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.24 +/- 1.56   0.001% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  28.12 +/- 1.54   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.62 +/- 0.92   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  34.46 +/- 1.91   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  25.34 +/- 1.28   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.46 +/- 1.05   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  40.02 +/- 2.43   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.52 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 146.9:
    * O T HD2   PRO   58 - HG2   PRO   58   2.91 +/- 0.00  96.967% * 98.7117% (0.95  10.0 10.00   6.62 146.95) =  99.999%  kept
          HB2   CYSS  53 - HG3   PRO   52   5.68 +/- 0.78   2.972% *  0.0288% (0.28   1.0  1.00   0.02  51.86) =   0.001%
        T HD2   PRO   58 - HG3   PRO   52  12.22 +/- 0.89   0.020% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HG2   PRO   58  10.87 +/- 0.69   0.039% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  19.01 +/- 1.74   0.001% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  26.14 +/- 1.26   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  27.01 +/- 1.78   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.35 +/- 1.20   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  27.67 +/- 1.45   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.03 +/- 1.09   0.000% *  0.0235% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 58.8:
    * O T HB2   PHE   59 - HA    PHE   59   2.95 +/- 0.22  99.745% * 99.6348% (1.00  10.0 10.00   3.30  58.85) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   9.22 +/- 0.71   0.123% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HA    PHE   59  10.65 +/- 0.70   0.052% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  11.90 +/- 1.30   0.033% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  12.07 +/- 0.81   0.026% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  13.78 +/- 2.03   0.021% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 58.8:
    * O T HB3   PHE   59 - HA    PHE   59   2.63 +/- 0.21  99.999% * 99.9552% (1.00  10.0 10.00   3.99  58.85) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  20.10 +/- 0.65   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 58.8:
    * O T HA    PHE   59 - HB2   PHE   59   2.95 +/- 0.22  99.941% * 99.8386% (1.00  10.0 10.00   3.30  58.85) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.54 +/- 0.83   0.055% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  19.73 +/- 2.18   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.82 +/- 2.22   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  24.34 +/- 1.94   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.8:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.85) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.76 +/- 1.06   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 58.8:
    * O T HA    PHE   59 - HB3   PHE   59   2.63 +/- 0.21  99.947% * 99.8386% (1.00  10.0 10.00   3.99  58.85) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.48 +/- 1.02   0.052% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  20.38 +/- 1.88   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  19.33 +/- 2.02   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  25.07 +/- 1.71   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.8:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.963% * 99.6348% (1.00  10.0 10.00   3.44  58.85) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.20 +/- 0.71   0.025% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HB3   PHE   59   9.10 +/- 0.73   0.006% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59   9.94 +/- 0.95   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.45 +/- 1.78   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  14.04 +/- 1.30   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB2   PHE   60 - HA    PHE   60   2.92 +/- 0.15  99.997% * 99.9010% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  16.62 +/- 1.21   0.003% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB3   PHE   60 - HA    PHE   60   2.71 +/- 0.29  99.961% * 99.7797% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  11.46 +/- 1.40   0.025% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  13.00 +/- 0.86   0.010% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  15.60 +/- 1.06   0.004% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  22.29 +/- 1.80   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HA    PHE   60 - HB2   PHE   60   2.92 +/- 0.15  99.926% * 99.8400% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          QB    SER  117 - HB2   PHE   60  13.19 +/- 0.88   0.013% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.65 +/- 1.22   0.020% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   PHE   60  11.67 +/- 1.48   0.030% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  14.18 +/- 0.69   0.008% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.27 +/- 0.87   0.004% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 99.7797% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.49 +/- 1.18   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.84 +/- 1.54   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  16.19 +/- 1.07   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  24.33 +/- 1.77   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HA    PHE   60 - HB3   PHE   60   2.71 +/- 0.29  99.948% * 99.8400% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          QB    SER  117 - HB3   PHE   60  13.28 +/- 0.71   0.008% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   PHE   60  11.26 +/- 1.24   0.022% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.08 +/- 1.28   0.013% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  14.06 +/- 0.73   0.006% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  16.23 +/- 0.64   0.003% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  17.06 +/- 1.59   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T QB    ALA   61 - HA    ALA   61   2.14 +/- 0.01  99.904% * 98.4786% (1.00  10.0 10.00   2.21  17.96) = 100.000%  kept
          QG    LYS+  66 - HA    ALA   61   8.05 +/- 0.90   0.046% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  12.88 +/- 2.07   0.003% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   8.84 +/- 1.01   0.027% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  12.24 +/- 1.88   0.004% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61  11.22 +/- 1.35   0.007% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  13.74 +/- 1.13   0.002% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.49 +/- 1.31   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  19.11 +/- 1.57   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.76 +/- 1.22   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  17.47 +/- 1.20   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  19.83 +/- 2.09   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  24.18 +/- 1.71   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.14 +/- 0.01  99.526% * 98.9510% (1.00  10.0 10.00   2.21  17.96) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   5.75 +/- 0.38   0.290% *  0.0444% (0.45   1.0  1.00   0.02   1.08) =   0.000%
          HD3   PRO   58 - QB    ALA  110   7.71 +/- 3.27   0.172% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  12.88 +/- 2.07   0.003% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.93 +/- 0.46   0.006% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  13.45 +/- 1.20   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.60 +/- 1.57   0.001% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.64 +/- 2.14   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  18.25 +/- 1.34   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.89 +/- 1.24   0.000% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.65 +/- 0.20  99.998% * 99.9434% (1.00  10.0 10.00   3.00  41.02) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.12 +/- 1.17   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.99 +/- 0.09  99.997% * 99.7306% (0.98  10.0 10.00   3.00  41.02) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.46 +/- 0.60   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  25.74 +/- 2.09   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  26.73 +/- 0.72   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.45 +/- 1.35   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.65 +/- 0.20  99.979% * 99.8236% (1.00  10.0 10.00   3.00  41.02) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  11.64 +/- 1.44   0.021% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  24.47 +/- 1.34   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  28.34 +/- 0.50   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00 100.000% * 99.7306% (0.98  10.0 10.00   3.00  41.02) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.62 +/- 0.97   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  26.80 +/- 2.20   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  26.26 +/- 0.66   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  27.33 +/- 1.17   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.99 +/- 0.09  99.958% * 99.8236% (0.98  10.0 10.00   3.00  41.02) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  11.36 +/- 1.13   0.041% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  23.81 +/- 1.45   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  27.43 +/- 0.65   0.000% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00 100.000% * 99.4370% (0.98  10.0 10.00   3.00  41.02) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  14.97 +/- 1.26   0.000% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.8:
    * O T HB2   LEU   63 - HA    LEU   63   2.85 +/- 0.13  99.825% * 99.1997% (1.00  10.0 10.00   6.28 240.83) = 100.000%  kept
          QB    ALA  124 - HA    LEU   63  10.83 +/- 2.54   0.074% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   63  10.22 +/- 0.94   0.060% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  13.41 +/- 1.58   0.014% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  14.83 +/- 1.28   0.006% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.11 +/- 2.27   0.004% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  15.40 +/- 1.13   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  17.97 +/- 0.58   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.07 +/- 0.99   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  19.42 +/- 0.93   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  21.18 +/- 0.83   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.77 +/- 1.06   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  18.77 +/- 0.77   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.8:
    * O T HB3   LEU   63 - HA    LEU   63   2.44 +/- 0.23  96.277% * 99.7424% (1.00  10.0 10.00   5.98 240.83) =  99.998%  kept
          QD1   LEU  123 - HA    LEU   63   6.18 +/- 2.41   2.273% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    LEU   63   6.23 +/- 1.23   1.313% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU   63   7.87 +/- 0.87   0.124% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.86 +/- 1.19   0.011% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  14.81 +/- 0.79   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.8:
    * O T HG    LEU   63 - HA    LEU   63   3.09 +/- 0.59  98.507% * 99.8120% (1.00  10.0 10.00   5.98 240.83) =  99.999%  kept
          HG3   LYS+ 112 - HA    LEU   63  14.57 +/- 2.52   0.953% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    LEU   63   8.31 +/- 0.83   0.538% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  19.60 +/- 0.99   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.14 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.637, support = 5.64, residual support = 240.8:
        T QD2   LEU   63 - HA    LEU   63   2.69 +/- 0.34  89.705% * 35.7505% (0.57 10.00   5.65 240.83) =  83.593%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.95 +/- 0.18   9.967% * 63.1462% (1.00 10.00   5.58 240.83) =  16.406%  kept
          QD2   LEU  115 - HA    LEU   63   7.72 +/- 1.02   0.272% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   63  10.64 +/- 1.47   0.035% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  11.68 +/- 1.24   0.018% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.33 +/- 1.25   0.002% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  19.63 +/- 1.27   0.001% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.10 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.974, support = 5.65, residual support = 240.8:
    *   T QD2   LEU   63 - HA    LEU   63   2.69 +/- 0.34  89.715% * 63.5438% (1.00 10.00   5.65 240.83) =  94.081%  kept
        T QD1   LEU   63 - HA    LEU   63   3.95 +/- 0.18   9.968% * 35.9756% (0.57 10.00   5.58 240.83) =   5.918%  kept
        T QD1   LEU   73 - HA    LEU   63  11.68 +/- 1.24   0.018% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   63   7.72 +/- 1.02   0.272% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  12.28 +/- 0.78   0.012% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  12.78 +/- 0.94   0.011% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  18.19 +/- 1.33   0.001% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.33 +/- 1.25   0.002% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.10 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.8:
    * O T HA    LEU   63 - HB2   LEU   63   2.85 +/- 0.13  99.998% * 99.2046% (1.00  10.0 10.00   6.28 240.83) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  19.70 +/- 1.49   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.86 +/- 0.94   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.8:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.862% * 99.7424% (1.00  10.0 10.00   6.31 240.83) = 100.000%  kept
          QG1   VAL   18 - HB2   LEU   63   6.72 +/- 1.18   0.059% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.30 +/- 1.34   0.042% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.55 +/- 1.70   0.035% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  11.62 +/- 1.47   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  13.12 +/- 0.94   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.8:
    * O T HG    LEU   63 - HB2   LEU   63   2.62 +/- 0.12  99.498% * 99.8120% (1.00  10.0 10.00   6.31 240.83) = 100.000%  kept
          HG3   LYS+ 112 - HB2   LEU   63  13.39 +/- 2.27   0.115% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   63   7.15 +/- 1.10   0.385% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  18.11 +/- 1.06   0.001% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.97, support = 6.1, residual support = 240.8:
    * O T QD1   LEU   63 - HB2   LEU   63   2.18 +/- 0.12  88.348% * 63.1462% (1.00  10.0 10.00   6.10 240.83) =  93.164%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.14 +/- 0.18  11.450% * 35.7505% (0.57  10.0 10.00   6.12 240.83) =   6.836%  kept
          QD2   LEU  115 - HB2   LEU   63   6.86 +/- 1.17   0.186% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.76 +/- 1.36   0.009% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  11.11 +/- 1.34   0.006% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.59 +/- 1.25   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  17.97 +/- 1.23   0.000% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 6.11, residual support = 240.8:
      O T QD1   LEU   63 - HB2   LEU   63   2.18 +/- 0.12  88.347% * 35.9756% (0.57  10.0 10.00   6.10 240.83) =  81.373%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.14 +/- 0.18  11.449% * 63.5438% (1.00  10.0 10.00   6.12 240.83) =  18.627%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.76 +/- 1.36   0.009% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   63   6.86 +/- 1.17   0.186% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  11.70 +/- 0.91   0.004% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  12.03 +/- 0.99   0.004% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.39 +/- 1.43   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.59 +/- 1.25   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.8:
    * O T HA    LEU   63 - HB3   LEU   63   2.44 +/- 0.23  99.999% * 99.8862% (1.00  10.0 10.00   5.98 240.83) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.09 +/- 1.46   0.000% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  18.53 +/- 0.97   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.8:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.981% * 99.1997% (1.00  10.0 10.00   6.31 240.83) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.38 +/- 1.11   0.013% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.93 +/- 2.17   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  12.01 +/- 1.66   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  13.11 +/- 1.41   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.21 +/- 2.49   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  14.58 +/- 1.18   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.51 +/- 1.11   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  16.26 +/- 0.69   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  17.70 +/- 1.24   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  19.14 +/- 0.86   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.93 +/- 1.29   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  17.12 +/- 0.80   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.8:
    * O T HG    LEU   63 - HB3   LEU   63   2.98 +/- 0.12  98.107% * 99.8120% (1.00  10.0 10.00   6.00 240.83) =  99.999%  kept
          HG3   LYS+ 112 - HB3   LEU   63  14.49 +/- 2.73   1.151% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB3   LEU   63   7.37 +/- 1.21   0.740% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  17.93 +/- 1.24   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.07 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.779, support = 5.81, residual support = 240.8:
      O T QD2   LEU   63 - HB3   LEU   63   2.29 +/- 0.23  64.736% * 35.7505% (0.57  10.0 10.00   5.82 240.83) =  51.027%  kept
    * O T QD1   LEU   63 - HB3   LEU   63   2.54 +/- 0.13  35.174% * 63.1462% (1.00  10.0 10.00   5.80 240.83) =  48.972%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.21 +/- 1.62   0.013% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63   9.94 +/- 1.37   0.012% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.69 +/- 1.07   0.065% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.68 +/- 1.37   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  17.90 +/- 1.30   0.000% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.898, support = 5.82, residual support = 240.8:
    * O T QD2   LEU   63 - HB3   LEU   63   2.29 +/- 0.23  64.736% * 63.5438% (1.00  10.0 10.00   5.82 240.83) =  76.475%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.54 +/- 0.13  35.174% * 35.9756% (0.57  10.0 10.00   5.80 240.83) =  23.525%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.21 +/- 1.62   0.013% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.69 +/- 1.07   0.065% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63  10.86 +/- 1.10   0.007% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  11.25 +/- 1.01   0.005% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.57 +/- 1.50   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.68 +/- 1.37   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.8:
    * O T HA    LEU   63 - HG    LEU   63   3.09 +/- 0.59  99.993% * 99.8862% (1.00  10.0 10.00   5.98 240.83) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  19.85 +/- 2.23   0.004% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  19.43 +/- 0.86   0.003% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.8:
    * O T HB2   LEU   63 - HG    LEU   63   2.62 +/- 0.12  99.637% * 99.1997% (1.00  10.0 10.00   6.31 240.83) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   7.98 +/- 1.44   0.288% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  11.10 +/- 1.72   0.029% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  12.52 +/- 2.47   0.019% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  13.68 +/- 1.29   0.006% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  15.62 +/- 2.13   0.004% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  15.55 +/- 1.17   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  15.96 +/- 0.82   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.79 +/- 1.09   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  18.23 +/- 1.32   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  18.92 +/- 1.56   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  16.98 +/- 0.83   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  20.91 +/- 1.00   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.8:
    * O T HB3   LEU   63 - HG    LEU   63   2.98 +/- 0.12  91.417% * 99.7424% (1.00  10.0 10.00   6.00 240.83) =  99.995%  kept
          QG1   VAL   18 - HG    LEU   63   6.83 +/- 1.51   3.129% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HG    LEU   63   7.47 +/- 2.75   4.237% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HG    LEU   63   7.02 +/- 1.21   1.161% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HG    LEU   63  11.35 +/- 1.26   0.042% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  13.17 +/- 1.05   0.014% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.842, support = 5.59, residual support = 240.8:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  49.591% * 63.0834% (1.00  10.0 10.00   5.56 240.83) =  63.523%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  50.298% * 35.7149% (0.57  10.0 10.00   5.63 240.83) =  36.476%  kept
          QD2   LEU  115 - HG    LEU   63   7.15 +/- 1.61   0.103% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  10.54 +/- 1.00   0.004% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  10.66 +/- 1.48   0.004% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.56 +/- 1.52   0.000% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  17.87 +/- 1.55   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.845, support = 5.61, residual support = 240.8:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  50.298% * 63.5438% (1.00  10.0 10.00   5.63 240.83) =  64.177%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  49.591% * 35.9756% (0.57  10.0 10.00   5.56 240.83) =  35.823%  kept
          QD2   LEU  115 - HG    LEU   63   7.15 +/- 1.61   0.103% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  10.54 +/- 1.00   0.004% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.36 +/- 0.76   0.002% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  11.71 +/- 1.07   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.40 +/- 1.59   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.56 +/- 1.52   0.000% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 240.8:
    *   T HA    LEU   63 - QD1   LEU   63   3.95 +/- 0.18  94.562% * 98.5216% (1.00 10.00   5.58 240.83) =  99.996%  kept
        T HA    LEU   63 - QD1   LEU   73  11.68 +/- 1.24   0.172% *  0.9852% (1.00 10.00   0.02   0.02) =   0.002%
        T HA    LEU   63 - QD1   LEU  104  10.64 +/- 1.47   0.325% *  0.2412% (0.24 10.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   7.49 +/- 1.21   4.227% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   73  10.63 +/- 1.00   0.367% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  10.97 +/- 1.48   0.282% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  15.67 +/- 1.36   0.031% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.32 +/- 0.84   0.030% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  21.27 +/- 1.17   0.004% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.16 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 240.8:
    * O T HB2   LEU   63 - QD1   LEU   63   2.18 +/- 0.12  95.244% * 95.2053% (1.00  10.0 10.00   6.10 240.83) =  99.997%  kept
          HB3   ASP-  44 - QD1   LEU   63   5.33 +/- 0.85   1.001% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD1   LEU   73   5.12 +/- 0.38   0.691% *  0.0854% (0.90   1.0  1.00   0.02   3.35) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   4.25 +/- 0.39   2.116% *  0.0132% (0.14   1.0  1.00   0.02  16.67) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   9.28 +/- 0.80   0.019% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   6.91 +/- 0.76   0.149% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  10.76 +/- 1.36   0.010% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   7.28 +/- 0.68   0.083% *  0.0933% (0.98   1.0  1.00   0.02   7.49) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.89 +/- 1.45   0.120% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.48 +/- 1.06   0.351% *  0.0187% (0.20   1.0  1.00   0.02   5.96) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  11.11 +/- 1.34   0.007% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  14.31 +/- 0.91   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.19 +/- 1.14   0.012% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   9.67 +/- 0.59   0.014% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  11.18 +/- 1.59   0.008% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.80 +/- 1.76   0.007% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  10.56 +/- 0.68   0.009% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.78 +/- 3.94   0.016% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.17 +/- 0.91   0.021% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.40 +/- 0.47   0.074% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  11.92 +/- 0.51   0.004% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  11.65 +/- 0.65   0.005% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  12.45 +/- 0.69   0.003% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  12.63 +/- 1.04   0.003% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  14.30 +/- 0.92   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  17.96 +/- 0.79   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  11.67 +/- 0.54   0.004% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.91 +/- 0.75   0.007% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.56 +/- 0.71   0.005% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.46 +/- 0.81   0.003% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.36 +/- 2.02   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.88 +/- 0.96   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  12.68 +/- 0.67   0.003% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.56 +/- 1.53   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  17.25 +/- 0.95   0.000% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.01 +/- 0.69   0.001% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.25 +/- 1.94   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.07 +/- 0.93   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  13.08 +/- 0.92   0.002% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 240.8:
    * O T HB3   LEU   63 - QD1   LEU   63   2.54 +/- 0.13  63.991% * 98.2083% (1.00  10.0 10.00   5.80 240.83) =  99.978%  kept
          QD1   LEU   71 - QD1   LEU   73   3.29 +/- 0.93  28.449% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.015%
          QG1   VAL   18 - QD1   LEU   63   5.61 +/- 1.06   4.308% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - QD1   LEU   63   6.89 +/- 1.74   1.076% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   6.26 +/- 1.09   0.608% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   6.15 +/- 0.53   0.440% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.21 +/- 1.62   0.029% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   7.59 +/- 0.90   0.219% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.19 +/- 1.09   0.659% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.94 +/- 1.37   0.028% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   9.57 +/- 0.92   0.030% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.22 +/- 1.19   0.035% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.40 +/- 3.34   0.071% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  12.34 +/- 0.78   0.006% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.39 +/- 0.68   0.033% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.58 +/- 1.77   0.004% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  11.78 +/- 1.19   0.009% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.35 +/- 0.38   0.005% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 240.8:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  98.699% * 96.2195% (1.00  10.0 10.00   5.56 240.83) =  99.997%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.75 +/- 0.84   1.127% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   24 - QD1   LEU   73   7.27 +/- 0.84   0.093% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  10.54 +/- 1.00   0.008% *  0.9622% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.88 +/- 1.60   0.033% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.66 +/- 1.48   0.009% *  0.2355% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   63  13.90 +/- 0.70   0.001% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.61 +/- 0.73   0.024% *  0.0363% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  10.92 +/- 0.75   0.006% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU  104  14.97 +/- 1.01   0.001% *  0.2273% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.63 +/- 1.57   0.000% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.09 +/- 1.08   0.000% *  0.0180% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 240.8:
    *   T HA    LEU   63 - QD2   LEU   63   2.69 +/- 0.34  99.991% * 99.8862% (1.00 10.00   5.65 240.83) = 100.000%  kept
          HB2   HIS   22 - QD2   LEU   63  16.75 +/- 1.66   0.003% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD2   LEU   63  14.59 +/- 1.00   0.005% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.13 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 240.8:
    * O T HB2   LEU   63 - QD2   LEU   63   3.14 +/- 0.18  97.424% * 98.3391% (1.00  10.0 10.00   6.12 240.83) =  99.998%  kept
          HB3   ASP-  44 - QD2   LEU   63   6.97 +/- 1.09   1.725% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD2   LEU   63   9.95 +/- 2.33   0.239% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63  10.08 +/- 1.17   0.122% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  10.14 +/- 1.51   0.146% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  15.65 +/- 1.24   0.008% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  13.44 +/- 2.26   0.068% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  11.28 +/- 1.22   0.064% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   9.70 +/- 1.14   0.149% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  14.08 +/- 1.24   0.015% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  13.30 +/- 0.72   0.018% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  15.85 +/- 1.19   0.007% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  13.81 +/- 0.81   0.015% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 240.8:
    * O T HB3   LEU   63 - QD2   LEU   63   2.29 +/- 0.23  84.530% * 99.7424% (1.00  10.0 10.00   5.82 240.83) =  99.991%  kept
          QG1   VAL   70 - QD2   LEU   63   4.57 +/- 1.14   7.006% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - QD2   LEU   63   6.07 +/- 2.52   6.098% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD2   LEU   63   5.94 +/- 1.35   2.300% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU   63   8.59 +/- 1.31   0.056% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  11.02 +/- 0.98   0.011% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 240.8:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.01  99.618% * 98.8183% (1.00  10.0 10.00   5.63 240.83) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.91 +/- 1.05   0.338% *  0.1525% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD2   LEU   63  12.48 +/- 2.16   0.043% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD2   LEU   63  14.54 +/- 1.02   0.001% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.9:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.02  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.87) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  15.82 +/- 1.04   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.995, support = 2.0, residual support = 21.0:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.02  97.696% * 72.6945% (1.00  10.0 10.00   2.00  20.87) =  99.123%  kept
        T HB2   PHE   72 - QB    ALA   64   4.39 +/- 0.83   2.303% * 27.2831% (0.38   1.0 10.00   2.48  37.09) =   0.877%  kept
          HB3   ASN   35 - QB    ALA   64  16.98 +/- 0.86   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 165.0:
    * O T QB    LYS+  65 - HA    LYS+  65   2.47 +/- 0.05  98.704% * 99.3780% (0.92  10.0 10.00   6.30 164.95) =  99.999%  kept
          QB    LYS+  66 - HA    LYS+  65   5.30 +/- 0.13   1.027% *  0.0563% (0.52   1.0  1.00   0.02  25.50) =   0.001%
          HB3   GLN   17 - HA    LYS+  65   8.62 +/- 2.45   0.220% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  13.64 +/- 0.99   0.004% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.11 +/- 1.48   0.003% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  10.54 +/- 2.77   0.030% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  17.30 +/- 1.28   0.001% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  14.04 +/- 3.85   0.005% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  17.37 +/- 0.86   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  21.05 +/- 0.99   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  17.01 +/- 1.89   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.32 +/- 3.00   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  21.51 +/- 1.45   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  15.60 +/- 3.12   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.99 +/- 3.56   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  23.26 +/- 2.03   0.000% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.909, support = 5.32, residual support = 167.4:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.32 +/- 0.37  69.881% * 85.7577% (0.92  10.0 10.00   5.27 164.95) =  98.335%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.78 +/- 0.19  25.594% *  2.4132% (0.03  10.0 10.00   8.27 310.58) =   1.013%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.87 +/- 0.34   4.117% *  9.5922% (0.10   1.0 10.00   7.24 310.58) =   0.648%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.90 +/- 0.62   0.369% *  0.6227% (0.67   1.0 10.00   0.02  25.50) =   0.004%
        T HD3   LYS+  74 - HA    LYS+  65  12.62 +/- 1.90   0.006% *  0.1323% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  11.00 +/- 2.27   0.010% *  0.0703% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.29 +/- 1.92   0.000% *  0.8500% (0.91   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  13.68 +/- 1.56   0.003% *  0.0716% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.52 +/- 1.87   0.001% *  0.2138% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  16.48 +/- 1.42   0.001% *  0.0850% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.64 +/- 1.53   0.002% *  0.0191% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.73 +/- 1.27   0.000% *  0.0968% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.39 +/- 4.92   0.012% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  13.75 +/- 4.21   0.003% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.74 +/- 1.42   0.000% *  0.0214% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.60 +/- 1.88   0.000% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.44 +/- 1.14   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.93 +/- 1.14   0.000% *  0.0149% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.89 +/- 1.22   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.15 +/- 0.95   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.917, support = 5.28, residual support = 165.9:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.21 +/- 0.48  77.430% * 94.0974% (0.92  10.0 10.00   5.27 164.95) =  99.360%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.20 +/- 0.47  22.339% *  2.1015% (0.02   1.0 10.00   6.63 310.58) =   0.640%  kept
        T HG3   LYS+ 106 - HA    LYS+ 121  11.92 +/- 3.14   0.053% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.58 +/- 0.87   0.049% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.69 +/- 1.13   0.004% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  19.94 +/- 1.04   0.002% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  15.13 +/- 1.34   0.012% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  17.02 +/- 4.58   0.008% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  18.35 +/- 1.97   0.003% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  16.30 +/- 1.96   0.007% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.21 +/- 2.17   0.005% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.46 +/- 1.09   0.004% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.74 +/- 1.21   0.000% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  14.60 +/- 1.79   0.019% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  17.32 +/- 0.85   0.004% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  16.94 +/- 1.35   0.005% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  15.06 +/- 2.97   0.012% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.33 +/- 3.34   0.016% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.50 +/- 0.86   0.008% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.81 +/- 3.33   0.001% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  19.02 +/- 1.12   0.002% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  20.71 +/- 0.97   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.72 +/- 3.65   0.009% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.36 +/- 2.03   0.002% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  18.29 +/- 2.02   0.004% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  20.81 +/- 0.46   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.03 +/- 3.04   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.85 +/- 1.07   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.783, support = 5.34, residual support = 189.8:
    *   T QD    LYS+  65 - HA    LYS+  65   3.24 +/- 0.40  34.627% * 86.8789% (0.92   1.0 10.00   4.75 164.95) =  82.954%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.87 +/- 0.08  63.182% *  9.7826% (0.10  10.0 10.00   8.23 310.58) =  17.043%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.24 +/- 0.69   2.128% *  0.0334% (0.04   1.0 10.00   0.02   2.18) =   0.002%
        T HB2   LYS+ 121 - HA    LYS+  65  16.08 +/- 1.82   0.003% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.31 +/- 2.42   0.006% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.75 +/- 1.84   0.013% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.91 +/- 0.70   0.023% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  20.06 +/- 1.12   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.54 +/- 3.92   0.004% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.30 +/- 1.35   0.002% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.79 +/- 1.35   0.000% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  19.28 +/- 4.10   0.001% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.59 +/- 1.45   0.002% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  17.43 +/- 1.30   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.95 +/- 1.89   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.13 +/- 1.70   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.40 +/- 1.21   0.002% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.82 +/- 1.72   0.000% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  17.91 +/- 2.35   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.42 +/- 0.66   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.74 +/- 1.21   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.55 +/- 1.25   0.000% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 165.0:
    *   T QE    LYS+  65 - HA    LYS+  65   4.23 +/- 0.72  99.862% * 97.2340% (0.92 10.00   4.75 164.95) =  99.999%  kept
        T QE    LYS+  33 - HA    LYS+  65  15.54 +/- 1.72   0.068% *  0.8720% (0.83 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HA    LYS+ 121  16.64 +/- 1.16   0.036% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  24.11 +/- 1.44   0.004% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  22.79 +/- 0.98   0.005% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  22.25 +/- 3.14   0.008% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  25.83 +/- 1.28   0.003% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  24.61 +/- 1.79   0.004% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  24.58 +/- 1.55   0.003% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  24.42 +/- 3.99   0.004% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  27.91 +/- 2.09   0.002% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  29.60 +/- 2.07   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 165.0:
    * O T HA    LYS+  65 - QB    LYS+  65   2.47 +/- 0.05  99.914% * 98.7802% (0.92  10.0 10.00   6.30 164.95) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   9.01 +/- 1.40   0.059% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.11 +/- 1.48   0.003% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.14 +/- 1.83   0.017% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  13.80 +/- 0.86   0.004% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.37 +/- 0.99   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  19.25 +/- 0.95   0.000% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.82 +/- 0.98   0.001% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.19 +/- 0.96   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  23.76 +/- 0.61   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  21.72 +/- 0.61   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  24.78 +/- 0.62   0.000% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.982, support = 5.55, residual support = 155.8:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.51 +/- 0.11  91.108% * 57.5064% (1.00  10.0 10.00   5.57 164.95) =  93.407%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.49 +/- 0.96   8.856% * 41.7582% (0.73   1.0 10.00   5.34  25.50) =   6.593%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.43 +/- 1.57   0.003% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  13.18 +/- 1.24   0.006% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.77 +/- 1.50   0.014% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.97 +/- 1.09   0.002% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.13 +/- 1.26   0.006% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  13.88 +/- 1.31   0.004% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.96 +/- 1.13   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.02 +/- 1.52   0.001% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 165.0:
    * O T QD    LYS+  65 - QB    LYS+  65   2.08 +/- 0.11  99.967% * 97.4795% (1.00  10.0 10.00   5.05 164.95) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.74 +/- 0.59   0.020% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  14.65 +/- 1.02   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.49 +/- 2.11   0.006% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  12.07 +/- 1.46   0.003% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  19.06 +/- 0.86   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.38 +/- 1.38   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.69 +/- 1.07   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.95 +/- 1.55   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.15 +/- 1.42   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  22.85 +/- 1.22   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 165.0:
    *   T QE    LYS+  65 - QB    LYS+  65   3.04 +/- 0.45  99.988% * 98.8300% (1.00 10.00   5.05 164.95) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.62 +/- 1.53   0.009% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.95 +/- 0.95   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  21.87 +/- 0.73   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  23.60 +/- 0.69   0.001% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  22.32 +/- 1.52   0.001% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 165.0:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.32 +/- 0.37  99.942% * 97.8884% (0.92  10.0 10.00   5.27 164.95) = 100.000%  kept
          HA2   GLY   16 - HG2   LYS+  65   9.11 +/- 1.85   0.049% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  120 - HG2   LYS+  65  14.57 +/- 1.55   0.004% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.73 +/- 1.27   0.001% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  19.40 +/- 1.70   0.001% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.97 +/- 0.97   0.001% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  20.43 +/- 1.41   0.000% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  20.46 +/- 1.37   0.000% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  19.90 +/- 1.48   0.000% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  26.22 +/- 1.34   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  23.82 +/- 1.33   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  27.68 +/- 1.38   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 164.9:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.51 +/- 0.11  99.454% * 99.0387% (1.00  10.0 10.00   5.57 164.95) =  99.998%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.52 +/- 0.22   0.339% *  0.5607% (0.57   1.0 10.00   0.02  25.50) =   0.002%
          HB3   GLN   17 - HG2   LYS+  65   9.11 +/- 2.61   0.202% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  14.91 +/- 1.17   0.003% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  16.43 +/- 1.48   0.002% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  18.52 +/- 1.01   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  22.25 +/- 0.91   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  22.43 +/- 1.52   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 165.0:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.27 +/- 0.09  99.964% * 96.4735% (1.00  10.0 10.00   4.44 164.95) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  12.30 +/- 2.16   0.007% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.74 +/- 1.39   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.46 +/- 0.91   0.025% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  21.76 +/- 1.11   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  15.03 +/- 1.81   0.002% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.91 +/- 1.40   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  16.46 +/- 1.46   0.001% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.45 +/- 1.74   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.55 +/- 1.66   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  24.77 +/- 2.07   0.000% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 165.0:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.77 +/- 0.27  99.996% * 98.8300% (1.00  10.0 10.00   4.44 164.95) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.74 +/- 1.67   0.003% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  24.78 +/- 1.77   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  26.05 +/- 1.64   0.000% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  24.28 +/- 1.08   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  23.69 +/- 2.13   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 165.0:
    *   T HA    LYS+  65 - QD    LYS+  65   3.24 +/- 0.40  98.306% * 96.9449% (0.92 10.00   4.75 164.95) =  99.999%  kept
          HA2   GLY   16 - QD    LYS+  65   8.95 +/- 1.85   0.408% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  65  16.30 +/- 1.35   0.009% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.16 +/- 1.64   0.038% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.72 +/- 0.97   0.397% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  15.54 +/- 3.92   0.016% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.59 +/- 0.89   0.427% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  16.59 +/- 1.45   0.007% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.40 +/- 1.21   0.008% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.18 +/- 0.48   0.133% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  20.06 +/- 1.12   0.002% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  13.48 +/- 0.65   0.024% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  19.28 +/- 4.10   0.004% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.62 +/- 0.85   0.011% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.34 +/- 0.80   0.027% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.79 +/- 1.35   0.001% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  19.34 +/- 1.34   0.003% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.78 +/- 1.01   0.003% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  19.04 +/- 1.54   0.004% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.55 +/- 1.12   0.008% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  23.95 +/- 1.89   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  16.68 +/- 1.62   0.007% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.03 +/- 1.20   0.010% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.13 +/- 1.70   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  18.77 +/- 1.36   0.004% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.91 +/- 1.34   0.014% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.74 +/- 1.59   0.007% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  17.60 +/- 2.14   0.006% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.14 +/- 1.53   0.020% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  14.27 +/- 1.28   0.020% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  18.75 +/- 2.81   0.004% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  15.37 +/- 2.07   0.015% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.07 +/- 1.84   0.006% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.14 +/- 2.02   0.009% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  19.76 +/- 1.23   0.003% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  24.81 +/- 1.05   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  15.95 +/- 1.80   0.010% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  20.01 +/- 1.53   0.003% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  20.29 +/- 0.90   0.002% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  21.14 +/- 3.29   0.002% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.76 +/- 1.09   0.002% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  23.27 +/- 1.56   0.001% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  18.21 +/- 1.26   0.004% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  22.82 +/- 1.40   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  22.83 +/- 1.10   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  22.63 +/- 0.94   0.001% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  24.74 +/- 1.44   0.001% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  18.61 +/- 1.46   0.004% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  20.68 +/- 1.88   0.002% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  26.23 +/- 0.83   0.000% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.50 +/- 1.95   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  29.60 +/- 2.15   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.71 +/- 0.99   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.56 +/- 1.70   0.001% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  28.91 +/- 1.85   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.65 +/- 1.60   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  24.11 +/- 1.20   0.001% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.22 +/- 0.67   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.76 +/- 0.98   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  31.51 +/- 1.54   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.907, support = 5.01, residual support = 164.2:
    * O T QB    LYS+  65 - QD    LYS+  65   2.08 +/- 0.11  63.367% * 77.3143% (1.00  10.0 10.00   5.05 164.95) =  87.652%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.34 +/- 0.29  36.031% * 19.1545% (0.25  10.0 10.00   4.75 158.76) =  12.348%  kept
          HB3   GLN   17 - QD    LYS+  65   9.03 +/- 3.05   0.161% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.38 +/- 0.37   0.084% *  0.0438% (0.57   1.0  1.00   0.02  25.50) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   5.97 +/- 0.99   0.305% *  0.0049% (0.06   1.0  1.00   0.02  22.39) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   9.52 +/- 1.48   0.010% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.83 +/- 1.56   0.013% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102   9.69 +/- 1.09   0.010% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  15.76 +/- 0.94   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.50 +/- 0.76   0.004% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111  10.60 +/- 1.45   0.006% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  21.01 +/- 0.83   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  18.13 +/- 0.90   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  14.91 +/- 1.21   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.09 +/- 0.49   0.003% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.95 +/- 1.55   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  19.06 +/- 0.86   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.13 +/- 1.00   0.001% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.69 +/- 1.07   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.15 +/- 1.42   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  20.66 +/- 1.71   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.01 +/- 1.76   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  13.62 +/- 1.09   0.001% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  15.97 +/- 1.05   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.30 +/- 1.20   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  25.61 +/- 0.89   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.71 +/- 2.31   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.61 +/- 2.22   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.90 +/- 1.59   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.12 +/- 2.12   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.49 +/- 1.15   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  19.76 +/- 1.66   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.36 +/- 2.26   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.14 +/- 2.04   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.72 +/- 1.77   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.27 +/- 1.13   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  22.88 +/- 2.09   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.90 +/- 1.62   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  29.05 +/- 1.73   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.30 +/- 1.42   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.9:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.27 +/- 0.09  89.516% * 94.3122% (1.00  10.0 10.00   4.44 164.95) =  99.993%  kept
        T QD    LYS+  66 - QD    LYS+  65   6.24 +/- 1.02   0.439% *  0.6848% (0.73   1.0 10.00   0.02  25.50) =   0.004%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.83 +/- 0.22   4.160% *  0.0409% (0.04  10.0  1.00   0.02 315.48) =   0.002%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.65 +/- 0.30   5.631% *  0.0253% (0.03  10.0  1.00   0.02 315.48) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  65  13.53 +/- 1.88   0.003% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   6.85 +/- 0.89   0.186% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  12.16 +/- 2.04   0.007% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  16.65 +/- 1.62   0.001% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  14.20 +/- 2.56   0.003% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  14.53 +/- 3.68   0.002% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  14.01 +/- 4.30   0.003% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.12 +/- 1.16   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  16.19 +/- 1.80   0.001% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.29 +/- 0.63   0.021% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  17.04 +/- 1.37   0.001% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.74 +/- 2.64   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  18.63 +/- 1.59   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.63 +/- 1.44   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  19.44 +/- 3.77   0.000% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.70 +/- 1.61   0.008% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  14.11 +/- 2.44   0.003% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  11.19 +/- 0.98   0.007% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.97 +/- 1.34   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.57 +/- 0.78   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.76 +/- 1.11   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  18.32 +/- 4.32   0.001% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.45 +/- 1.74   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.91 +/- 1.40   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  23.03 +/- 1.10   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.55 +/- 1.66   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  16.05 +/- 0.49   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.46 +/- 0.95   0.000% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.12 +/- 1.07   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  20.86 +/- 1.30   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.73 +/- 1.21   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.46 +/- 1.15   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.10 +/- 2.56   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  15.47 +/- 1.14   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.68 +/- 1.06   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.08 +/- 0.76   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.19 +/- 2.44   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.49 +/- 1.46   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.45 +/- 1.00   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  19.67 +/- 2.16   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.20 +/- 1.32   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.43 +/- 1.90   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  23.42 +/- 2.38   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  20.15 +/- 1.22   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.29 +/- 1.90   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.39 +/- 2.23   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 165.0:
    * O T QE    LYS+  65 - QD    LYS+  65   2.11 +/- 0.02  99.914% * 97.0780% (1.00  10.0 10.00   4.00 164.95) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  10.53 +/- 1.08   0.008% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.39 +/- 0.77   0.071% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  16.17 +/- 1.84   0.001% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.57 +/- 1.34   0.000% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  12.82 +/- 1.44   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  14.48 +/- 1.72   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.16 +/- 1.38   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.29 +/- 1.42   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  21.26 +/- 1.34   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.96 +/- 1.15   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  17.08 +/- 1.03   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.32 +/- 0.62   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  23.78 +/- 1.76   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.81 +/- 2.32   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  23.13 +/- 1.07   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  24.92 +/- 1.29   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  22.55 +/- 2.09   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.57 +/- 2.07   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  20.31 +/- 1.30   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.41 +/- 1.14   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.64 +/- 1.07   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.22 +/- 1.30   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.78 +/- 1.52   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  25.85 +/- 1.49   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.45 +/- 1.53   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.42 +/- 1.22   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.73 +/- 2.26   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  29.01 +/- 0.75   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  31.80 +/- 1.78   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.918, support = 4.74, residual support = 164.0:
    *   T HA    LYS+  65 - QE    LYS+  65   4.23 +/- 0.72  91.862% * 88.0388% (0.92 10.00   4.75 164.95) =  99.363%  kept
        T HA    GLN   32 - QE    LYS+  33   7.32 +/- 0.87   5.317% *  9.7024% (0.10 10.00   3.29  11.53) =   0.634%  kept
          HA2   GLY   16 - QE    LYS+  65   9.91 +/- 2.14   1.149% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QE    LYS+  33  11.01 +/- 2.61   1.228% *  0.0473% (0.50  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - QE    LYS+  33  15.54 +/- 1.72   0.062% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  16.64 +/- 1.16   0.033% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  13.46 +/- 1.56   0.135% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  22.25 +/- 3.14   0.007% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  18.60 +/- 1.72   0.021% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  18.38 +/- 1.39   0.020% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  15.57 +/- 1.02   0.051% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  17.98 +/- 1.59   0.025% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.85 +/- 1.65   0.028% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.35 +/- 1.36   0.004% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  20.46 +/- 1.25   0.009% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.83 +/- 1.63   0.012% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  22.38 +/- 3.13   0.007% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  24.51 +/- 1.29   0.003% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.36 +/- 1.62   0.008% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  22.16 +/- 1.57   0.006% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.23 +/- 1.60   0.003% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.20 +/- 1.95   0.002% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.92 +/- 1.20   0.005% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.94 +/- 1.15   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.07 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 164.9:
    *   T QB    LYS+  65 - QE    LYS+  65   3.04 +/- 0.45  96.258% * 98.8024% (1.00 10.00   5.05 164.95) =  99.998%  kept
          HB3   GLN   17 - QE    LYS+  65   9.66 +/- 2.98   1.444% *  0.0599% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  33   6.85 +/- 1.21   1.451% *  0.0507% (0.51  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  65   7.08 +/- 0.71   0.633% *  0.0559% (0.57  1.00   0.02  25.50) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  15.62 +/- 1.53   0.008% *  0.5079% (0.51 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  11.33 +/- 2.43   0.079% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33  10.54 +/- 0.98   0.078% *  0.0191% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  15.48 +/- 1.19   0.009% *  0.0986% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  15.09 +/- 1.35   0.010% *  0.0825% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.58 +/- 1.57   0.008% *  0.0498% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  14.65 +/- 1.80   0.013% *  0.0288% (0.29  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  18.56 +/- 0.98   0.003% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.49 +/- 0.89   0.001% *  0.0968% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.48 +/- 1.10   0.005% *  0.0127% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  22.40 +/- 1.80   0.001% *  0.0424% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.78 +/- 1.16   0.001% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 165.0:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.77 +/- 0.27  99.039% * 98.8048% (1.00  10.0 10.00   4.44 164.95) =  99.999%  kept
          QD    LYS+  66 - QE    LYS+  65   7.15 +/- 1.15   0.501% *  0.0717% (0.73   1.0  1.00   0.02  25.50) =   0.000%
          QG2   THR   26 - QE    LYS+  33   8.32 +/- 1.38   0.293% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  16.74 +/- 1.67   0.003% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  65  13.34 +/- 2.03   0.016% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  12.83 +/- 1.70   0.023% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  11.77 +/- 2.18   0.048% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  10.82 +/- 1.39   0.046% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  16.25 +/- 1.86   0.004% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  16.84 +/- 1.26   0.003% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  16.03 +/- 1.62   0.004% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.72 +/- 1.67   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.37 +/- 0.96   0.003% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  15.07 +/- 1.90   0.007% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.06 +/- 1.37   0.003% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.30 +/- 1.36   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  21.94 +/- 2.68   0.001% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.64 +/- 1.24   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  20.88 +/- 3.37   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.94 +/- 2.44   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 165.0:
    * O T QD    LYS+  65 - QE    LYS+  65   2.11 +/- 0.02  99.892% * 96.2302% (1.00  10.0 10.00   4.00 164.95) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  10.53 +/- 1.08   0.008% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   7.98 +/- 1.28   0.087% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  16.17 +/- 1.84   0.001% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.33 +/- 2.13   0.005% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.57 +/- 1.34   0.000% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  21.26 +/- 1.34   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  13.89 +/- 2.03   0.002% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  15.86 +/- 1.04   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  13.89 +/- 1.72   0.002% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.96 +/- 1.15   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  15.08 +/- 1.35   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.16 +/- 1.38   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.29 +/- 1.42   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  17.36 +/- 1.55   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  21.09 +/- 2.83   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  23.56 +/- 2.01   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.76 +/- 1.74   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.81 +/- 2.32   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  22.46 +/- 3.52   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  22.53 +/- 1.81   0.000% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.57 +/- 2.07   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 4.99, residual support = 112.3:
    * O T QB    LYS+  66 - HA    LYS+  66   2.42 +/- 0.10  95.536% * 86.1201% (1.00  10.0 10.00   4.99 112.93) =  99.314%  kept
          QB    LYS+  65 - HA    LYS+  66   4.07 +/- 0.05   4.369% * 13.0085% (0.57   1.0  1.00   5.34  25.50) =   0.686%  kept
          HG    LEU  123 - HA    LYS+  66  10.12 +/- 3.56   0.090% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.99 +/- 0.86   0.003% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.94 +/- 0.84   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  23.45 +/- 1.44   0.000% *  0.4876% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  18.35 +/- 1.22   0.001% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.21 +/- 1.22   0.000% *  0.0592% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.41 +/- 1.48   0.000% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 4.31, residual support = 112.2:
    * O T QG    LYS+  66 - HA    LYS+  66   2.54 +/- 0.38  97.040% * 72.3676% (1.00  10.0 10.00   4.31 112.93) =  99.301%  kept
        T HG    LEU   67 - HA    LYS+  66   6.31 +/- 1.08   1.816% * 27.1604% (0.38   1.0 10.00   4.33  10.20) =   0.698%  kept
          HB3   LEU   67 - HA    LYS+  66   5.92 +/- 0.60   0.991% *  0.0685% (0.95   1.0  1.00   0.02  10.20) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.27 +/- 0.49   0.126% *  0.0604% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  12.43 +/- 1.28   0.014% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  16.35 +/- 1.48   0.003% *  0.0685% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.65 +/- 2.10   0.004% *  0.0381% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.97 +/- 1.63   0.004% *  0.0352% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  17.35 +/- 1.42   0.001% *  0.0439% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  22.17 +/- 1.69   0.000% *  0.0628% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  24.77 +/- 1.47   0.000% *  0.0468% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  25.53 +/- 1.57   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.9:
    *   T QD    LYS+  66 - HA    LYS+  66   2.43 +/- 0.51  99.379% * 98.7926% (1.00 10.00   4.31 112.93) = 100.000%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.41 +/- 0.20   0.595% *  0.0717% (0.73  1.00   0.02  25.50) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  66  14.77 +/- 2.61   0.006% *  0.7911% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  13.87 +/- 2.54   0.009% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  15.59 +/- 1.67   0.004% *  0.0520% (0.53  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  16.54 +/- 1.56   0.002% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.09 +/- 2.27   0.002% *  0.0559% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  16.58 +/- 1.37   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.56 +/- 1.13   0.001% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.9:
    *   T QE    LYS+  66 - HA    LYS+  66   3.98 +/- 0.41  98.313% * 99.6609% (1.00 10.00   3.74 112.93) =  99.999%  kept
          HB2   ASN   69 - HA    LYS+  66  10.44 +/- 1.36   1.681% *  0.0308% (0.31  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    LYS+  66  24.18 +/- 1.37   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  22.60 +/- 0.88   0.003% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 112.9:
    * O T HA    LYS+  66 - QB    LYS+  66   2.42 +/- 0.10  99.935% * 99.9488% (1.00  10.0 10.00   4.99 112.93) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   8.96 +/- 1.40   0.064% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  19.91 +/- 1.32   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  23.80 +/- 1.01   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 4.31, residual support = 112.2:
    * O T QG    LYS+  66 - QB    LYS+  66   2.05 +/- 0.01  97.793% * 71.9610% (1.00  10.0 10.00   4.31 112.93) =  99.311%  kept
        T HG    LEU   67 - QB    LYS+  66   5.48 +/- 1.34   1.806% * 27.0078% (0.38   1.0 10.00   4.30  10.20) =   0.688%  kept
          HB3   LEU   67 - QB    LYS+  66   5.40 +/- 0.34   0.322% *  0.0681% (0.95   1.0  1.00   0.02  10.20) =   0.000%
          QB    ALA   61 - QB    LYS+  66   7.19 +/- 0.45   0.057% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66   9.78 +/- 1.07   0.011% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  11.46 +/- 1.58   0.005% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  18.17 +/- 1.50   0.000% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.69 +/- 1.66   0.002% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  12.92 +/- 2.19   0.003% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  14.01 +/- 1.40   0.001% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  20.95 +/- 1.48   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  21.55 +/- 1.52   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.9:
    * O T QD    LYS+  66 - QB    LYS+  66   2.32 +/- 0.19  99.712% * 98.1588% (1.00  10.0 10.00   4.31 112.93) =  99.998%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.52 +/- 0.22   0.234% *  0.7128% (0.73   1.0 10.00   0.02  25.50) =   0.002%
        T HD2   LYS+ 121 - QB    LYS+  66  11.18 +/- 2.42   0.015% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  66  10.42 +/- 2.61   0.024% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.14 +/- 1.51   0.006% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  13.02 +/- 1.29   0.004% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.87 +/- 2.21   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  14.12 +/- 1.41   0.003% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  16.17 +/- 1.26   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 112.9:
    *   T QE    LYS+  66 - QB    LYS+  66   3.17 +/- 0.66  99.173% * 99.6609% (1.00 10.00   3.73 112.93) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.55 +/- 1.42   0.822% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.61 +/- 1.27   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  19.52 +/- 1.14   0.003% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.9:
    * O T HA    LYS+  66 - QG    LYS+  66   2.54 +/- 0.38  85.385% * 99.8680% (1.00  10.0 10.00   4.31 112.93) =  99.998%  kept
        T HA    LYS+  66 - HG    LEU   67   6.31 +/- 1.08   1.733% *  0.0769% (0.08   1.0 10.00   0.02  10.20) =   0.002%
          HA1   GLY   16 - HG    LEU   67   6.51 +/- 3.15  12.829% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   9.79 +/- 1.43   0.051% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  21.17 +/- 1.36   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  24.73 +/- 1.34   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  17.97 +/- 1.23   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  24.93 +/- 1.58   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.32, residual support = 112.5:
    * O T QB    LYS+  66 - QG    LYS+  66   2.05 +/- 0.01  94.264% * 85.0232% (1.00  10.0 10.00   4.31 112.93) =  99.487%  kept
          QB    LYS+  65 - QG    LYS+  66   4.06 +/- 0.89   3.143% * 13.1020% (0.57   1.0  1.00   5.44  25.50) =   0.511%  kept
        T QB    LYS+  66 - HG    LEU   67   5.48 +/- 1.34   1.769% *  0.0655% (0.08   1.0 10.00   0.02  10.20) =   0.001%
          HG    LEU  123 - QG    LYS+  66   6.84 +/- 3.24   0.712% *  0.0481% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.04 +/- 1.44   0.001% *  0.8043% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.33 +/- 1.02   0.080% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  16.46 +/- 1.69   0.000% *  0.5840% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  12.58 +/- 1.85   0.003% *  0.0619% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.10 +/- 1.45   0.003% *  0.0447% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  15.05 +/- 1.59   0.001% *  0.0763% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.27 +/- 1.37   0.017% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  16.46 +/- 2.34   0.001% *  0.0450% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  17.35 +/- 1.82   0.000% *  0.0710% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  13.34 +/- 4.37   0.005% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  19.60 +/- 1.54   0.000% *  0.0481% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  17.10 +/- 2.50   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  17.94 +/- 1.94   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  23.26 +/- 1.60   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 112.9:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  99.659% * 98.6006% (1.00  10.0 10.00   4.00 112.93) = 100.000%  kept
          HG2   LYS+  65 - QG    LYS+  66   6.59 +/- 0.83   0.136% *  0.0716% (0.73   1.0  1.00   0.02  25.50) =   0.000%
        T QD    LYS+  66 - HG    LEU   67   7.16 +/- 1.19   0.122% *  0.0759% (0.08   1.0 10.00   0.02  10.20) =   0.000%
        T HD2   LYS+ 121 - QG    LYS+  66  11.18 +/- 2.33   0.009% *  0.7895% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  10.50 +/- 2.25   0.011% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.52 +/- 1.25   0.038% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  15.09 +/- 4.28   0.003% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  13.88 +/- 1.90   0.002% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  14.02 +/- 1.81   0.002% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  13.37 +/- 1.76   0.002% *  0.0285% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  16.00 +/- 2.19   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  15.18 +/- 1.65   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  14.00 +/- 4.72   0.007% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  17.18 +/- 1.35   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  13.89 +/- 2.95   0.004% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  13.34 +/- 1.84   0.002% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.71 +/- 1.99   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.48 +/- 3.23   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 112.9:
    * O T QE    LYS+  66 - QG    LYS+  66   2.18 +/- 0.11  99.820% * 99.5585% (1.00  10.0 10.00   3.41 112.93) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   8.28 +/- 1.34   0.072% *  0.0766% (0.08   1.0 10.00   0.02  10.20) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  10.64 +/- 1.29   0.013% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   8.02 +/- 1.06   0.094% *  0.0024% (0.02   1.0  1.00   0.02   3.07) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  21.56 +/- 1.59   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  20.82 +/- 1.39   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  17.69 +/- 1.25   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.01 +/- 1.72   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.9:
    *   T HA    LYS+  66 - QD    LYS+  66   2.43 +/- 0.51  99.942% * 99.8184% (1.00 10.00   4.31 112.93) = 100.000%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  14.77 +/- 2.61   0.006% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD    LYS+  66   9.77 +/- 1.45   0.050% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  21.34 +/- 1.34   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  25.79 +/- 1.26   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  20.58 +/- 2.49   0.001% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  26.00 +/- 3.67   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  25.33 +/- 1.06   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.34, residual support = 110.4:
    * O T QB    LYS+  66 - QD    LYS+  66   2.32 +/- 0.19  94.266% * 63.5425% (1.00  10.0 10.00   4.31 112.93) =  97.107%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.49 +/- 0.96   4.960% * 35.9749% (0.57   1.0 10.00   5.34  25.50) =   2.893%  kept
          HG    LEU  123 - QD    LYS+  66   7.42 +/- 3.27   0.697% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121  11.18 +/- 2.42   0.014% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.93 +/- 0.77   0.036% *  0.0045% (0.07   1.0  1.00   0.02   2.18) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  13.64 +/- 1.21   0.003% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.43 +/- 1.57   0.002% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.72 +/- 1.21   0.001% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  16.14 +/- 1.59   0.001% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  16.95 +/- 1.42   0.001% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  13.70 +/- 3.15   0.005% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.18 +/- 1.61   0.001% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  13.17 +/- 3.57   0.005% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  14.74 +/- 2.66   0.004% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  15.76 +/- 3.44   0.002% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  20.67 +/- 2.03   0.000% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  19.26 +/- 2.90   0.002% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  17.61 +/- 2.91   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 112.9:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.691% * 98.6304% (1.00  10.0 10.00   4.00 112.93) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   7.16 +/- 1.19   0.122% *  0.3702% (0.38   1.0 10.00   0.02  10.20) =   0.000%
          HB3   LEU   67 - QD    LYS+  66   6.97 +/- 0.63   0.087% *  0.0933% (0.95   1.0  1.00   0.02  10.20) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.94 +/- 0.96   0.052% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  11.18 +/- 2.33   0.009% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.14 +/- 1.51   0.011% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  12.45 +/- 3.96   0.005% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  11.45 +/- 1.40   0.006% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.61 +/- 1.94   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  15.09 +/- 4.28   0.003% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.73 +/- 1.68   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.99 +/- 1.78   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.66 +/- 1.88   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.16 +/- 1.73   0.003% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  15.39 +/- 3.38   0.001% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  19.63 +/- 1.86   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.74 +/- 4.51   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  14.40 +/- 1.07   0.001% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.01 +/- 1.48   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.91 +/- 2.33   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  23.61 +/- 1.70   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  21.35 +/- 2.87   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  24.30 +/- 1.65   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  24.35 +/- 1.57   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (1.51, 1.51, 29.56 ppm):
    2 diagonal assignments:
    *     QD    LYS+  66 - QD    LYS+  66  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.10)  kept
 
    Peak 757 (2.87, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 112.9:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.957% * 99.4957% (1.00  10.0 10.00   3.31 112.93) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  11.70 +/- 2.60   0.016% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66  10.40 +/- 1.69   0.026% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  22.52 +/- 1.50   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  21.19 +/- 1.26   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  18.20 +/- 3.66   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  25.13 +/- 1.39   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  24.12 +/- 3.44   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.9:
    *   T HA    LYS+  66 - QE    LYS+  66   3.98 +/- 0.41  97.174% * 99.7309% (1.00 10.00   3.74 112.93) = 100.000%  kept
          HA    LYS+  81 - HB2   ASP-  76   7.58 +/- 0.41   2.524% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QE    LYS+  66  11.05 +/- 1.55   0.287% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  24.18 +/- 1.37   0.002% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  21.95 +/- 2.06   0.004% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  26.16 +/- 1.59   0.002% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  21.36 +/- 1.04   0.005% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.65 +/- 0.60   0.002% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 3.75, residual support = 111.3:
    *   T QB    LYS+  66 - QE    LYS+  66   3.17 +/- 0.66  81.858% * 87.7599% (1.00 10.00   3.73 112.93) =  98.098%  kept
          QB    LYS+  65 - QE    LYS+  66   5.45 +/- 1.06  12.073% * 11.5148% (0.57  1.00   4.64  25.50) =   1.898%  kept
          HG    LEU  123 - QE    LYS+  66   6.83 +/- 3.29   5.980% *  0.0497% (0.57  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - QE    LYS+  66  14.32 +/- 1.94   0.021% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.10 +/- 1.99   0.010% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  16.87 +/- 2.36   0.009% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  16.22 +/- 1.86   0.007% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  18.20 +/- 2.47   0.004% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.61 +/- 1.27   0.001% *  0.1825% (0.21 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  14.51 +/- 1.37   0.014% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.83 +/- 0.88   0.008% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  20.74 +/- 2.04   0.002% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  17.84 +/- 0.93   0.003% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.26 +/- 0.68   0.004% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  20.04 +/- 0.91   0.002% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  19.65 +/- 1.35   0.002% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  22.89 +/- 0.68   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.09 +/- 2.15   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (1.44, 2.87, 42.12 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 112.9:
    * O T QG    LYS+  66 - QE    LYS+  66   2.18 +/- 0.11  98.650% * 98.5716% (1.00  10.0 10.00   3.41 112.93) = 100.000%  kept
        T HG    LEU   67 - QE    LYS+  66   8.28 +/- 1.34   0.071% *  0.3700% (0.38   1.0 10.00   0.02  10.20) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   6.00 +/- 1.38   0.838% *  0.0133% (0.13   1.0  1.00   0.02   3.66) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.19 +/- 1.02   0.055% *  0.0932% (0.95   1.0  1.00   0.02  10.20) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.50 +/- 1.05   0.039% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.43 +/- 1.07   0.317% *  0.0036% (0.04   1.0  1.00   0.02   3.66) =   0.000%
          HG    LEU   40 - QE    LYS+  66  11.69 +/- 2.10   0.013% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  12.46 +/- 1.83   0.004% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.40 +/- 2.20   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.87 +/- 1.66   0.002% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  15.60 +/- 2.44   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.87 +/- 0.78   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  21.56 +/- 1.59   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  19.54 +/- 2.82   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  14.85 +/- 1.44   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.58 +/- 0.93   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.00 +/- 1.77   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.01 +/- 1.72   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  23.54 +/- 1.81   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.73 +/- 1.61   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.31 +/- 1.14   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  21.16 +/- 1.28   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  24.08 +/- 2.09   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  26.05 +/- 1.15   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 112.9:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  99.847% * 98.3437% (1.00  10.0 10.00   3.31 112.93) = 100.000%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  11.70 +/- 2.60   0.016% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  66   8.18 +/- 0.99   0.041% *  0.0714% (0.73   1.0  1.00   0.02  25.50) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  10.99 +/- 2.28   0.009% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   8.61 +/- 1.09   0.028% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   8.23 +/- 0.81   0.033% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   8.99 +/- 0.88   0.020% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  14.42 +/- 2.47   0.002% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.72 +/- 2.65   0.002% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.59 +/- 1.85   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.79 +/- 1.76   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.43 +/- 1.55   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  22.52 +/- 1.50   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  25.13 +/- 1.39   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  20.67 +/- 2.09   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.22 +/- 0.86   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  23.69 +/- 0.93   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  25.03 +/- 1.11   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.9:
    * O T HB2   PRO   68 - HA    PRO   68   2.65 +/- 0.17  99.996% * 98.6006% (0.84  10.0 10.00   2.00  35.93) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  15.57 +/- 1.18   0.003% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  17.71 +/- 1.32   0.001% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  25.72 +/- 1.65   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.9:
    * O T HA    PRO   68 - HB2   PRO   68   2.65 +/- 0.17 100.000% * 99.1920% (0.84  10.0 10.00   2.00  35.93) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  25.72 +/- 1.65   0.000% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.7:
    * O T HB2   ASN   69 - HA    ASN   69   2.60 +/- 0.11  99.836% * 99.7955% (1.00  10.0 10.00   3.63  61.65) = 100.000%  kept
          QE    LYS+  33 - HA    ASN   69   9.43 +/- 2.30   0.116% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HA    ASN   69  10.47 +/- 1.90   0.048% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.57 +/- 0.83   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.55 +/- 0.71   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.7:
    * O T HB3   ASN   69 - HA    ASN   69   2.45 +/- 0.16  99.948% * 99.7714% (1.00  10.0 10.00   3.31  61.65) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   8.93 +/- 0.89   0.048% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  14.08 +/- 1.20   0.003% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYSS  50 - HA    ASN   69  22.23 +/- 0.60   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.7:
    * O T HA    ASN   69 - HB2   ASN   69   2.60 +/- 0.11  99.997% * 99.8126% (1.00  10.0 10.00   3.63  61.65) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.06 +/- 0.59   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  22.75 +/- 0.84   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.7:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 99.7714% (1.00  10.0 10.00   3.97  61.65) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  10.79 +/- 0.70   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  15.63 +/- 1.17   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYSS  50 - HB2   ASN   69  23.83 +/- 0.85   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.7:
    * O T HA    ASN   69 - HB3   ASN   69   2.45 +/- 0.16  99.998% * 99.8126% (1.00  10.0 10.00   3.31  61.65) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  15.64 +/- 0.73   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  23.12 +/- 0.87   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.7:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.985% * 99.7955% (1.00  10.0 10.00   3.97  61.65) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  10.62 +/- 2.39   0.009% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  10.48 +/- 2.56   0.006% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  25.52 +/- 0.80   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.48 +/- 0.89   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 83.6:
    * O T HB    VAL   70 - HA    VAL   70   2.88 +/- 0.26  97.906% * 97.2460% (1.00  10.0 10.00   4.31  83.58) =  99.999%  kept
        T QG    GLN   17 - HA    VAL   70  10.19 +/- 0.94   0.071% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48   6.94 +/- 1.26   1.782% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70   9.92 +/- 1.25   0.103% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  12.20 +/- 0.57   0.019% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70   9.82 +/- 0.50   0.069% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  13.19 +/- 1.38   0.015% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  18.17 +/- 1.27   0.002% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  12.18 +/- 1.02   0.023% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  23.63 +/- 1.47   0.000% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  16.18 +/- 0.58   0.004% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.03 +/- 1.14   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  25.90 +/- 0.98   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.35 +/- 0.63   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  18.18 +/- 0.63   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.55 +/- 1.53   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  20.54 +/- 0.64   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.97 +/- 1.22   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  29.23 +/- 1.01   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.79 +/- 1.66   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  32.22 +/- 1.09   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 4.92, residual support = 83.1:
    * O T QG1   VAL   70 - HA    VAL   70   2.58 +/- 0.33  94.923% * 81.0637% (1.00  10.0 10.00   4.93  83.58) =  98.971%  kept
          QD1   LEU   71 - HA    VAL   70   5.62 +/- 0.79   4.842% * 16.5005% (0.92   1.0  1.00   4.41  32.52) =   1.028%  kept
        T QG1   VAL   18 - HA    VAL   70   8.85 +/- 0.83   0.082% *  0.7946% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   70   9.42 +/- 1.45   0.087% *  0.0459% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  11.96 +/- 3.17   0.030% *  0.0748% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  12.36 +/- 1.12   0.010% *  0.1810% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.38 +/- 0.80   0.019% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  17.95 +/- 0.96   0.001% *  0.3850% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  22.58 +/- 0.77   0.000% *  0.3928% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  20.35 +/- 0.97   0.001% *  0.1847% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.64 +/- 2.29   0.000% *  0.1705% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  17.85 +/- 1.44   0.001% *  0.0363% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.33 +/- 1.66   0.001% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  19.55 +/- 1.37   0.001% *  0.0105% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.73 +/- 1.29   0.000% *  0.0363% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  25.42 +/- 1.06   0.000% *  0.0222% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  25.94 +/- 0.66   0.000% *  0.0238% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.72 +/- 0.86   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 83.6:
    * O T QG2   VAL   70 - HA    VAL   70   2.35 +/- 0.16  99.999% * 99.2926% (0.80  10.0 10.00   4.00  83.58) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  20.24 +/- 0.74   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  18.77 +/- 0.67   0.000% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 83.6:
    * O T HA    VAL   70 - HB    VAL   70   2.88 +/- 0.26  87.579% * 98.3567% (1.00  10.0 10.00   4.31  83.58) =  99.998%  kept
          HA    VAL   18 - QG    GLN   17   4.67 +/- 0.56   6.356% *  0.0125% (0.13   1.0  1.00   0.02  50.11) =   0.001%
          HA1   GLY   16 - QG    GLN   17   4.83 +/- 0.33   5.130% *  0.0036% (0.04   1.0  1.00   0.02  16.48) =   0.000%
          HA    VAL   18 - HB    VAL   70   8.35 +/- 1.15   0.248% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  10.19 +/- 0.94   0.062% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    VAL   70   8.19 +/- 1.74   0.509% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.26 +/- 0.71   0.049% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  13.46 +/- 0.38   0.009% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  15.32 +/- 1.59   0.005% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  12.94 +/- 1.49   0.017% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  12.47 +/- 1.43   0.022% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  16.81 +/- 0.49   0.002% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  25.90 +/- 0.98   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.03 +/- 1.14   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  14.67 +/- 1.32   0.007% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.17 +/- 1.27   0.002% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  23.63 +/- 1.47   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  19.41 +/- 1.21   0.001% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.35, residual support = 83.6:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.098% * 99.3444% (1.00  10.0 10.00   5.35  83.58) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   70   6.90 +/- 0.55   0.113% *  0.0917% (0.92   1.0  1.00   0.02  32.52) =   0.000%
          HB3   LEU   63 - HB    VAL   70   6.86 +/- 1.41   0.161% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.39 +/- 0.34   0.417% *  0.0181% (0.18   1.0  1.00   0.02  50.11) =   0.000%
          QG1   VAL   18 - HB    VAL   70   7.61 +/- 1.05   0.064% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   9.04 +/- 0.70   0.019% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70  10.14 +/- 3.08   0.020% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   7.71 +/- 1.34   0.094% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  10.94 +/- 1.17   0.007% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  11.73 +/- 1.25   0.004% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  14.59 +/- 1.59   0.001% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.14 +/- 0.99   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 83.6:
    * O T QG2   VAL   70 - HB    VAL   70   2.13 +/- 0.02  99.980% * 99.8146% (0.80  10.0 10.00   4.31  83.58) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.97 +/- 0.65   0.020% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 83.6:
    * O T HA    VAL   70 - QG1   VAL   70   2.58 +/- 0.33  99.237% * 98.1637% (1.00  10.0 10.00   4.93  83.58) =  99.998%  kept
        T HA    VAL   18 - QG1   VAL   70   8.23 +/- 0.93   0.262% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70   7.32 +/- 1.26   0.373% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   8.45 +/- 0.57   0.094% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  12.72 +/- 1.54   0.014% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  11.70 +/- 0.29   0.015% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  14.85 +/- 0.47   0.004% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  22.58 +/- 0.77   0.000% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  20.35 +/- 0.97   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.35, residual support = 83.6:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.937% * 98.7774% (1.00  10.0 10.00   5.35  83.58) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   9.04 +/- 0.70   0.019% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.49 +/- 1.56   0.025% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.39 +/- 0.61   0.008% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   9.95 +/- 0.69   0.010% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  18.80 +/- 0.67   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  17.66 +/- 0.84   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.93, residual support = 83.6:
    * O T QG2   VAL   70 - QG1   VAL   70   2.06 +/- 0.05 100.000% *100.0000% (0.80  10.0 10.00   4.93  83.58) = 100.000%  kept
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 4.0, residual support = 83.6:
    * O T HA    VAL   70 - QG2   VAL   70   2.35 +/- 0.16  99.669% * 98.7631% (0.54  10.0 10.00   4.00  83.58) = 100.000%  kept
          HA    VAL   18 - QG2   VAL   70   7.29 +/- 0.64   0.150% *  0.0678% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.19 +/- 0.49   0.064% *  0.0481% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   8.24 +/- 1.20   0.094% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  10.46 +/- 0.28   0.014% *  0.0857% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  12.74 +/- 1.42   0.005% *  0.0988% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  12.95 +/- 0.43   0.004% *  0.0717% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  20.24 +/- 0.74   0.000% *  0.5990% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  18.77 +/- 0.67   0.000% *  0.2463% (0.13   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 83.6:
    * O T HB    VAL   70 - QG2   VAL   70   2.13 +/- 0.02  99.908% * 98.7774% (0.54  10.0 10.00   4.31  83.58) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   8.97 +/- 0.65   0.020% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.21 +/- 0.50   0.032% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.81 +/- 1.09   0.028% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   9.77 +/- 0.18   0.011% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.75 +/- 0.54   0.000% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  15.73 +/- 0.68   0.001% *  0.0246% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.93, residual support = 83.6:
    * O T QG1   VAL   70 - QG2   VAL   70   2.06 +/- 0.05  98.745% * 99.6017% (0.54  10.0 10.00   4.93  83.58) =  99.999%  kept
          QD1   LEU   71 - QG2   VAL   70   5.04 +/- 0.41   0.651% *  0.0919% (0.50   1.0  1.00   0.02  32.52) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   5.88 +/- 1.28   0.402% *  0.0564% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   6.48 +/- 0.83   0.130% *  0.0976% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   8.81 +/- 2.57   0.036% *  0.0919% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   7.91 +/- 0.65   0.037% *  0.0604% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.2:
    * O T HB2   LEU   71 - HA    LEU   71   2.97 +/- 0.05  99.451% * 99.5520% (1.00  10.0 10.00   5.31 138.24) = 100.000%  kept
          HB3   GLN   17 - HA    LEU   71   9.44 +/- 1.17   0.135% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.31 +/- 1.41   0.145% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   71   8.30 +/- 0.39   0.223% *  0.0340% (0.34   1.0  1.00   0.02   4.41) =   0.000%
          QB    LYS+  65 - HA    LEU   71  11.73 +/- 0.75   0.029% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.76 +/- 1.01   0.007% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.60 +/- 0.83   0.008% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  18.80 +/- 0.86   0.002% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.2:
    * O T HB3   LEU   71 - HA    LEU   71   2.62 +/- 0.14  99.994% * 99.6783% (1.00  10.0 10.00   4.31 138.24) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  13.99 +/- 0.52   0.005% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  17.92 +/- 0.57   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  23.71 +/- 2.29   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.46 +/- 2.33   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  24.23 +/- 1.71   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 4.01, residual support = 136.5:
    *   T QD1   LEU   71 - HA    LEU   71   3.29 +/- 0.54  90.678% * 81.6306% (1.00 10.00   4.00 138.24) =  98.392%  kept
          QG1   VAL   70 - HA    LEU   71   5.40 +/- 0.50   6.665% * 18.1236% (0.92  1.00   4.81  32.52) =   1.606%  kept
          QG1   VAL   18 - HA    LEU   71   6.46 +/- 0.70   2.450% *  0.0682% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    LEU   71  10.14 +/- 1.49   0.163% *  0.0278% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  14.01 +/- 2.43   0.026% *  0.0816% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.26 +/- 0.68   0.018% *  0.0682% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 138.2:
    *   T QD2   LEU   71 - HA    LEU   71   1.94 +/- 0.09  98.177% * 99.6055% (1.00 10.00   5.00 138.24) =  99.999%  kept
          QD1   LEU   67 - HA    LEU   71   5.53 +/- 1.80   1.756% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    LEU   71   7.11 +/- 0.97   0.062% *  0.0409% (0.41  1.00   0.02   1.50) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  11.94 +/- 0.80   0.002% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  13.10 +/- 1.92   0.001% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.38 +/- 1.01   0.001% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.57 +/- 0.54   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.2:
    * O T HA    LEU   71 - HB2   LEU   71   2.97 +/- 0.05  99.380% * 99.9402% (1.00  10.0 10.00   5.31 138.24) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   7.09 +/- 0.44   0.586% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.32 +/- 0.62   0.034% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.2:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 138.24) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  12.84 +/- 0.62   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  16.09 +/- 0.61   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  24.20 +/- 2.29   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.79 +/- 2.29   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  23.79 +/- 1.62   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 138.2:
    * O T QD1   LEU   71 - HB2   LEU   71   2.29 +/- 0.14  99.596% * 99.6081% (1.00  10.0 10.00   4.94 138.24) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU   71   6.17 +/- 0.37   0.306% *  0.0919% (0.92   1.0  1.00   0.02  32.52) =   0.000%
          QG1   VAL   18 - HB2   LEU   71   7.71 +/- 0.62   0.082% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  11.08 +/- 1.48   0.011% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  12.95 +/- 0.65   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  14.68 +/- 2.48   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 138.2:
    * O T QD2   LEU   71 - HB2   LEU   71   3.18 +/- 0.06  94.072% * 99.6055% (1.00  10.0 10.00   5.44 138.24) =  99.997%  kept
          QD2   LEU   40 - HB2   LEU   71   5.79 +/- 0.96   4.309% *  0.0409% (0.41   1.0  1.00   0.02   1.50) =   0.002%
          QD1   LEU   67 - HB2   LEU   71   7.12 +/- 1.37   1.481% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   71  11.41 +/- 1.07   0.056% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  11.89 +/- 0.57   0.036% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  12.55 +/- 0.79   0.028% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  13.78 +/- 2.06   0.019% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.2:
    * O T HA    LEU   71 - HB3   LEU   71   2.62 +/- 0.14  99.879% * 99.9402% (1.00  10.0 10.00   4.31 138.24) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.31 +/- 0.66   0.106% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  11.76 +/- 1.34   0.015% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.2:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.953% * 99.3538% (1.00  10.0 10.00   4.97 138.24) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   6.61 +/- 0.64   0.042% *  0.0339% (0.34   1.0  1.00   0.02   4.41) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.20 +/- 0.93   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.78 +/- 1.34   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  11.72 +/- 1.26   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.26 +/- 1.28   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  13.63 +/- 0.62   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  19.64 +/- 0.87   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.68, residual support = 138.2:
    * O T QD1   LEU   71 - HB3   LEU   71   2.78 +/- 0.41  98.082% * 99.6081% (1.00  10.0 10.00   3.68 138.24) =  99.998%  kept
          QG1   VAL   70 - HB3   LEU   71   6.06 +/- 0.52   1.615% *  0.0919% (0.92   1.0  1.00   0.02  32.52) =   0.002%
          QG1   VAL   18 - HB3   LEU   71   8.07 +/- 0.91   0.239% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.57 +/- 1.50   0.042% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.56 +/- 1.10   0.012% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  14.95 +/- 2.62   0.010% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.2:
    * O T QD2   LEU   71 - HB3   LEU   71   2.50 +/- 0.17  98.653% * 99.6055% (1.00  10.0 10.00   4.44 138.24) =  99.999%  kept
          QD2   LEU   40 - HB3   LEU   71   6.37 +/- 1.42   0.872% *  0.0409% (0.41   1.0  1.00   0.02   1.50) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   7.12 +/- 1.45   0.450% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.32 +/- 1.03   0.009% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  12.71 +/- 0.69   0.007% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.19 +/- 1.02   0.005% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  14.18 +/- 2.10   0.004% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 138.2:
    *   T HA    LEU   71 - QD1   LEU   71   3.29 +/- 0.54  97.051% * 99.9402% (1.00 10.00   4.00 138.24) =  99.999%  kept
          HA    VAL   43 - QD1   LEU   71   6.88 +/- 1.10   2.667% *  0.0223% (0.22  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - QD1   LEU   71   8.98 +/- 1.28   0.283% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 138.2:
    * O T HB2   LEU   71 - QD1   LEU   71   2.29 +/- 0.14  99.483% * 99.5520% (1.00  10.0 10.00   4.94 138.24) = 100.000%  kept
          HB    VAL   41 - QD1   LEU   71   5.95 +/- 0.75   0.456% *  0.0340% (0.34   1.0  1.00   0.02   4.41) =   0.000%
          HB3   GLN   17 - QD1   LEU   71   9.77 +/- 1.57   0.027% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  11.08 +/- 1.35   0.014% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.82 +/- 1.23   0.006% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  12.30 +/- 0.92   0.005% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  11.57 +/- 1.06   0.007% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  16.87 +/- 1.17   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.68, residual support = 138.2:
    * O T HB3   LEU   71 - QD1   LEU   71   2.78 +/- 0.41  99.958% * 99.6783% (1.00  10.0 10.00   3.68 138.24) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  11.76 +/- 0.95   0.031% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  14.34 +/- 1.14   0.009% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  21.72 +/- 2.07   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  21.44 +/- 2.06   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.43 +/- 1.52   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 138.2:
    * O T QD2   LEU   71 - QD1   LEU   71   2.06 +/- 0.07  99.629% * 99.6055% (1.00  10.0 10.00   4.12 138.24) = 100.000%  kept
          QD1   LEU   67 - QD1   LEU   71   6.84 +/- 1.34   0.205% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   LEU   71   6.36 +/- 0.66   0.145% *  0.0409% (0.41   1.0  1.00   0.02   1.50) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  10.68 +/- 1.16   0.008% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  10.63 +/- 1.29   0.007% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  11.29 +/- 0.76   0.004% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  12.86 +/- 1.81   0.002% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 138.2:
    *   T HA    LEU   71 - QD2   LEU   71   1.94 +/- 0.09  99.967% * 99.9402% (1.00 10.00   5.00 138.24) = 100.000%  kept
          HA    VAL   43 - QD2   LEU   71   8.24 +/- 0.87   0.024% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD2   LEU   71   9.30 +/- 0.72   0.009% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 138.2:
    * O T HB2   LEU   71 - QD2   LEU   71   3.18 +/- 0.06  98.515% * 99.3538% (1.00  10.0 10.00   5.44 138.24) =  99.999%  kept
          HB3   GLN   17 - QD2   LEU   71   8.20 +/- 1.26   0.578% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU   71   7.58 +/- 0.51   0.604% *  0.0339% (0.34   1.0  1.00   0.02   4.41) =   0.000%
          QB    LYS+  66 - QD2   LEU   71  10.06 +/- 1.24   0.188% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU   71  11.16 +/- 0.86   0.062% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.09 +/- 0.78   0.022% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  12.83 +/- 1.07   0.026% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  17.42 +/- 0.88   0.004% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.2:
    * O T HB3   LEU   71 - QD2   LEU   71   2.50 +/- 0.17  99.990% * 99.2790% (1.00  10.0 10.00   4.44 138.24) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.86 +/- 0.71   0.007% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  22.05 +/- 1.45   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  16.01 +/- 0.86   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  21.69 +/- 1.85   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  21.50 +/- 1.89   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 138.2:
    * O T QD1   LEU   71 - QD2   LEU   71   2.06 +/- 0.07  99.567% * 99.6081% (1.00  10.0 10.00   4.12 138.24) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU   71   5.63 +/- 0.44   0.276% *  0.0919% (0.92   1.0  1.00   0.02  32.52) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   6.45 +/- 0.68   0.146% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71  10.37 +/- 1.25   0.008% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  13.06 +/- 2.00   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.18 +/- 0.62   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.06, residual support = 89.6:
    * O T HB2   PHE   72 - HA    PHE   72   2.99 +/- 0.16  98.760% * 99.8683% (0.64  10.0 10.00   4.06  89.61) =  99.999%  kept
          HA    ALA   64 - HA    PHE   72   6.47 +/- 0.63   1.203% *  0.0868% (0.55   1.0  1.00   0.02  37.09) =   0.001%
          HB3   ASN   69 - HA    PHE   72  11.36 +/- 0.51   0.036% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.61, residual support = 89.6:
    * O T HB3   PHE   72 - HA    PHE   72   2.69 +/- 0.18  97.827% * 99.4196% (0.66  10.0 10.00   4.61  89.61) =  99.998%  kept
          HB2   ASP-  44 - HA    PHE   72   5.35 +/- 0.58   2.054% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    PHE   72   9.43 +/- 1.37   0.076% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  11.65 +/- 1.41   0.021% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  12.86 +/- 1.63   0.011% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  12.99 +/- 0.37   0.009% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  17.43 +/- 0.69   0.002% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  19.58 +/- 1.57   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.06, residual support = 89.6:
    * O T HA    PHE   72 - HB2   PHE   72   2.99 +/- 0.16 100.000% *100.0000% (0.64  10.0 10.00   4.06  89.61) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.23, residual support = 89.6:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.876% * 99.4196% (0.72  10.0 10.00   4.23  89.61) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.46 +/- 1.07   0.093% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   7.93 +/- 1.58   0.024% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72   9.84 +/- 1.66   0.006% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  13.74 +/- 1.53   0.001% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.62 +/- 0.60   0.000% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.35 +/- 1.57   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  19.24 +/- 1.03   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.61, residual support = 89.6:
    * O T HA    PHE   72 - HB3   PHE   72   2.69 +/- 0.18 100.000% *100.0000% (0.66  10.0 10.00   4.61  89.61) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 4.23, residual support = 89.6:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.698% * 99.8683% (0.72  10.0 10.00   4.23  89.61) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   5.27 +/- 0.91   0.300% *  0.0868% (0.63   1.0  1.00   0.02  37.09) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  11.81 +/- 0.72   0.001% *  0.0449% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 169.8:
    * O T HB2   LEU   73 - HA    LEU   73   2.55 +/- 0.29  99.979% * 99.4108% (1.00  10.0 10.00   5.00 169.82) = 100.000%  kept
          HB3   MET   92 - HA    LEU   73  14.58 +/- 0.57   0.004% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LEU   73  14.96 +/- 0.88   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  15.85 +/- 0.48   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  15.42 +/- 1.08   0.003% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  14.17 +/- 0.88   0.004% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  14.92 +/- 1.04   0.004% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  17.88 +/- 0.88   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  21.21 +/- 1.39   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.52 +/- 1.13   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 169.8:
    * O T HB3   LEU   73 - HA    LEU   73   2.77 +/- 0.32  94.392% * 99.1728% (1.00  10.0 10.00   5.00 169.82) =  99.998%  kept
          HB3   LYS+  74 - HA    LEU   73   4.82 +/- 0.43   4.806% *  0.0174% (0.18   1.0  1.00   0.02  40.88) =   0.001%
          HB    VAL   42 - HA    LEU   73   6.67 +/- 0.54   0.657% *  0.0983% (0.99   1.0  1.00   0.02   1.80) =   0.001%
          HG3   LYS+  33 - HA    LEU   73  10.15 +/- 0.96   0.051% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  11.10 +/- 0.69   0.031% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  12.06 +/- 0.50   0.018% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  14.41 +/- 1.58   0.006% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.93 +/- 0.79   0.020% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  15.05 +/- 1.76   0.005% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  13.49 +/- 0.94   0.009% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.09 +/- 0.47   0.003% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.62 +/- 0.99   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  22.55 +/- 2.28   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.83 +/- 1.52   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  20.28 +/- 2.01   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 169.8:
    *   T QD1   LEU   73 - HA    LEU   73   3.79 +/- 0.15  96.412% * 98.2281% (1.00 10.00   5.00 169.82) =  99.987%  kept
        T QD1   LEU   63 - HA    LEU   73   8.89 +/- 0.98   1.017% *  0.9823% (1.00 10.00   0.02   0.02) =   0.011%
          QD2   LEU   80 - HA    LEU   73   8.07 +/- 0.80   1.211% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    LEU   73   9.16 +/- 1.44   1.072% *  0.0556% (0.57  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   73  13.42 +/- 0.89   0.056% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  11.00 +/- 1.11   0.200% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  15.27 +/- 1.70   0.032% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 169.8:
    *   T QD2   LEU   73 - HA    LEU   73   2.13 +/- 0.32  99.675% * 99.4036% (1.00 10.00   6.22 169.82) = 100.000%  kept
          QG1   VAL   43 - HA    LEU   73   6.40 +/- 0.71   0.229% *  0.0276% (0.28  1.00   0.02   8.77) =   0.000%
          HG    LEU   31 - HA    LEU   73   8.55 +/- 0.64   0.060% *  0.0959% (0.97  1.00   0.02   3.35) =   0.000%
          QG1   VAL   41 - HA    LEU   73   8.76 +/- 0.57   0.030% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LEU   73  13.49 +/- 1.43   0.005% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  20.25 +/- 2.13   0.000% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 169.8:
    * O T HA    LEU   73 - HB2   LEU   73   2.55 +/- 0.29 100.000% *100.0000% (1.00  10.0 10.00   5.00 169.82) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 169.8:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.871% * 95.5463% (1.00  10.0 10.00   5.00 169.82) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   6.95 +/- 0.78   0.036% *  0.0947% (0.99   1.0  1.00   0.02   1.80) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  10.17 +/- 1.08   0.003% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.85 +/- 0.38   0.079% *  0.0167% (0.18   1.0  1.00   0.02  40.88) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  15.01 +/- 0.93   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  13.52 +/- 0.99   0.001% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  16.45 +/- 1.48   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73   9.82 +/- 0.78   0.004% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  18.21 +/- 1.05   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  10.64 +/- 0.52   0.002% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  10.46 +/- 1.01   0.003% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  16.23 +/- 2.01   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  22.94 +/- 2.36   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  20.14 +/- 2.13   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.59 +/- 1.55   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 169.8:
    * O T QD1   LEU   73 - HB2   LEU   73   2.59 +/- 0.40  99.051% * 98.2281% (1.00  10.0 10.00   5.00 169.82) =  99.999%  kept
          QD2   LEU   80 - HB2   LEU   73   6.68 +/- 0.76   0.735% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB2   LEU   73   9.53 +/- 1.06   0.054% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB2   LEU   73  12.99 +/- 0.90   0.008% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73   9.92 +/- 1.47   0.041% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   9.19 +/- 1.19   0.107% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  15.79 +/- 1.80   0.003% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 169.8:
    * O T QD2   LEU   73 - HB2   LEU   73   2.78 +/- 0.31  89.896% * 98.6124% (1.00  10.0 10.00   6.22 169.82) =  99.996%  kept
          QG1   VAL   43 - HB2   LEU   73   4.91 +/- 0.93   9.146% *  0.0274% (0.28   1.0  1.00   0.02   8.77) =   0.003%
          HG    LEU   31 - HB2   LEU   73   6.67 +/- 0.72   0.667% *  0.0952% (0.97   1.0  1.00   0.02   3.35) =   0.001%
          QG1   VAL   41 - HB2   LEU   73   7.86 +/- 0.76   0.283% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  13.95 +/- 1.50   0.008% *  0.8844% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  20.14 +/- 2.30   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 169.8:
    * O T HA    LEU   73 - HB3   LEU   73   2.77 +/- 0.32 100.000% *100.0000% (1.00  10.0 10.00   5.00 169.82) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 169.8:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.997% * 98.2609% (1.00  10.0 10.00   5.00 169.82) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  16.13 +/- 0.82   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  13.93 +/- 0.87   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.16 +/- 1.06   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.38 +/- 1.16   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  22.79 +/- 1.25   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.24 +/- 1.11   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  14.36 +/- 1.27   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  13.79 +/- 1.17   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.33 +/- 1.67   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 169.8:
    * O T QD1   LEU   73 - HB3   LEU   73   2.28 +/- 0.32  99.532% * 97.5376% (1.00  10.0 10.00   4.99 169.82) =  99.997%  kept
        T QD2   LEU   80 - HB3   LEU   73   6.97 +/- 0.87   0.327% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HB3   LEU   73   9.09 +/- 0.91   0.043% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  12.50 +/- 1.21   0.005% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73   9.49 +/- 1.18   0.049% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   9.37 +/- 1.17   0.044% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  15.35 +/- 1.97   0.002% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.21, residual support = 169.7:
    * O T QD2   LEU   73 - HB3   LEU   73   2.97 +/- 0.31  80.852% * 99.1570% (1.00  10.0 10.00   6.22 169.82) =  99.938%  kept
        T QG1   VAL   43 - HB3   LEU   73   4.47 +/- 1.08  17.524% *  0.2757% (0.28   1.0 10.00   0.02   8.77) =   0.060%
          HG    LEU   31 - HB3   LEU   73   6.51 +/- 0.73   1.225% *  0.0957% (0.97   1.0  1.00   0.02   3.35) =   0.001%
          QG1   VAL   41 - HB3   LEU   73   7.56 +/- 0.59   0.385% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  13.55 +/- 1.56   0.013% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.47 +/- 2.66   0.001% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 169.8:
    *   T HA    LEU   73 - QD1   LEU   73   3.79 +/- 0.15  98.866% * 98.7705% (1.00 10.00   5.00 169.82) =  99.989%  kept
        T HA    LEU   73 - QD1   LEU   63   8.89 +/- 0.98   1.076% *  0.9877% (1.00 10.00   0.02   0.02) =   0.011%
        T HA    LEU   73 - QD1   LEU  104  13.42 +/- 0.89   0.058% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.953, support = 4.82, residual support = 161.7:
    * O T HB2   LEU   73 - QD1   LEU   73   2.59 +/- 0.40  35.440% * 92.1099% (1.00  10.0 10.00   5.00 169.82) =  94.709%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.58 +/- 0.48  34.550% *  3.7394% (0.05   1.0 10.00   1.49  16.67) =   3.748%  kept
          QD    LYS+  99 - QD1   LEU  104   2.80 +/- 0.80  29.453% *  1.8045% (0.23   1.0  1.00   1.73  16.67) =   1.542%  kept
        T HB2   LEU   73 - QD1   LEU   63   9.53 +/- 1.06   0.016% *  0.9211% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   63   5.66 +/- 0.66   0.262% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   8.41 +/- 1.37   0.040% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   8.93 +/- 0.84   0.017% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  10.22 +/- 1.51   0.015% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   6.82 +/- 0.93   0.114% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   9.90 +/- 1.80   0.015% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  10.30 +/- 0.88   0.008% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.31 +/- 0.49   0.025% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  10.80 +/- 1.11   0.005% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  12.99 +/- 0.90   0.002% *  0.2255% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  11.79 +/- 0.71   0.003% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73   9.86 +/- 0.89   0.011% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  12.53 +/- 1.48   0.002% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  13.08 +/- 0.65   0.002% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  10.87 +/- 1.17   0.006% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  11.98 +/- 0.68   0.003% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  11.37 +/- 4.09   0.006% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  14.07 +/- 0.70   0.001% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  13.01 +/- 1.09   0.002% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.01 +/- 1.20   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  17.61 +/- 1.92   0.000% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  19.70 +/- 1.14   0.000% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.75 +/- 1.87   0.001% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.23 +/- 1.59   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.45 +/- 0.79   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  16.68 +/- 1.08   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 169.8:
    * O T HB3   LEU   73 - QD1   LEU   73   2.28 +/- 0.32  92.293% * 96.9771% (1.00  10.0 10.00   4.99 169.82) =  99.994%  kept
          HB    VAL   42 - QD1   LEU   73   4.64 +/- 0.97   3.161% *  0.0961% (0.99   1.0  1.00   0.02   1.80) =   0.003%
          HB    VAL   42 - QD1   LEU   63   6.07 +/- 0.94   0.615% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - QD1   LEU   63   9.09 +/- 0.91   0.037% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.80 +/- 1.79   0.300% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   6.90 +/- 1.02   0.274% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   73   6.35 +/- 0.70   0.254% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   6.87 +/- 1.02   0.386% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.36 +/- 0.69   1.010% *  0.0089% (0.09   1.0  1.00   0.02   5.96) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.89 +/- 1.45   0.177% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.25 +/- 0.54   0.064% *  0.0961% (0.99   1.0  1.00   0.02   1.41) =   0.000%
          HG    LEU   98 - QD1   LEU   73   6.91 +/- 0.76   0.170% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.17 +/- 0.91   0.044% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   7.12 +/- 0.38   0.151% *  0.0170% (0.18   1.0  1.00   0.02  40.88) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.48 +/- 1.06   0.425% *  0.0059% (0.06   1.0  1.00   0.02   5.96) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.40 +/- 0.47   0.113% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.13 +/- 0.89   0.075% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  12.50 +/- 1.21   0.005% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   8.24 +/- 4.27   0.238% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.74 +/- 0.85   0.023% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   9.67 +/- 0.59   0.022% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.56 +/- 0.71   0.007% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63   9.79 +/- 1.24   0.034% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.19 +/- 1.14   0.020% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   9.54 +/- 1.54   0.030% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  13.20 +/- 1.90   0.006% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  13.13 +/- 1.11   0.003% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  14.29 +/- 1.17   0.003% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  11.92 +/- 0.51   0.007% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  14.46 +/- 1.12   0.002% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  11.18 +/- 1.59   0.010% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  12.45 +/- 0.69   0.005% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.41 +/- 1.19   0.001% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.78 +/- 3.94   0.026% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.31 +/- 0.82   0.003% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.05 +/- 1.34   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  19.61 +/- 1.78   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.08 +/- 1.35   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.89 +/- 2.38   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.36 +/- 2.02   0.001% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.52 +/- 1.02   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.01 +/- 0.69   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.06 +/- 1.87   0.001% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.07 +/- 0.93   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.48 +/- 0.95   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.995, support = 6.16, residual support = 168.0:
    * O T QD2   LEU   73 - QD1   LEU   73   2.01 +/- 0.06  77.134% * 86.1113% (1.00  10.0 10.00   6.22 169.82) =  98.934%  kept
          HG    LEU   31 - QD1   LEU   73   3.76 +/- 0.60   4.252% *  9.0369% (0.97   1.0  1.00   2.17   3.35) =   0.572%  kept
          QG1   VAL   43 - QD1   LEU   73   2.91 +/- 0.62  16.783% *  1.9473% (0.28   1.0  1.00   1.63   8.77) =   0.487%
        T QG1   VAL   41 - QD1   LEU   73   4.51 +/- 0.65   0.993% *  0.3861% (0.45   1.0 10.00   0.02   0.02) =   0.006%
          QD1   ILE   56 - QD1   LEU   63   5.27 +/- 1.02   0.469% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD1   LEU   63   7.95 +/- 0.75   0.027% *  0.8611% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.20 +/- 0.95   0.142% *  0.0945% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   7.47 +/- 4.67   0.100% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.56 +/- 0.80   0.008% *  0.3861% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   9.79 +/- 1.72   0.009% *  0.2937% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104  10.18 +/- 0.88   0.005% *  0.2108% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.27 +/- 0.53   0.039% *  0.0239% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.63 +/- 0.67   0.031% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.23 +/- 1.41   0.002% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  15.74 +/- 2.60   0.000% *  0.2937% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  12.69 +/- 1.15   0.001% *  0.0831% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  11.63 +/- 1.49   0.003% *  0.0203% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  12.62 +/- 1.92   0.002% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 169.8:
    *   T HA    LEU   73 - QD2   LEU   73   2.13 +/- 0.32 100.000% * 99.6602% (1.00 10.00   6.22 169.82) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  20.25 +/- 2.13   0.000% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 169.8:
    * O T HB2   LEU   73 - QD2   LEU   73   2.78 +/- 0.31  99.281% * 98.3218% (1.00  10.0 10.00   6.22 169.82) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.13 +/- 0.70   0.199% *  0.2169% (0.22   1.0 10.00   0.02   2.18) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   9.13 +/- 2.93   0.241% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  12.99 +/- 0.96   0.011% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  11.02 +/- 0.84   0.035% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121  10.87 +/- 4.51   0.073% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.36 +/- 1.12   0.012% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  13.25 +/- 0.76   0.011% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  10.92 +/- 0.93   0.040% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  13.77 +/- 1.03   0.009% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.68 +/- 0.80   0.010% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.42 +/- 1.08   0.007% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  20.14 +/- 2.30   0.001% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  11.77 +/- 4.90   0.043% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.57 +/- 4.37   0.016% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.59 +/- 1.69   0.002% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.79 +/- 1.52   0.004% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.46 +/- 2.43   0.004% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  20.56 +/- 1.29   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.74 +/- 1.84   0.001% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.904, support = 6.17, residual support = 183.1:
    * O T HB3   LEU   73 - QD2   LEU   73   2.97 +/- 0.31  31.266% * 89.5675% (1.00  10.0 10.00   6.22 169.82) =  89.835%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.58 +/- 0.33  64.970% *  4.7126% (0.05  10.0 10.00   5.98 310.58) =   9.822%  kept
          HB    VAL   42 - QD2   LEU   73   4.68 +/- 0.52   2.423% *  4.3817% (0.99   1.0  1.00   0.99   1.80) =   0.341%
          HG3   LYS+  33 - QD2   LEU   73   6.32 +/- 1.28   0.454% *  0.0864% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   73   6.10 +/- 0.45   0.554% *  0.0157% (0.18   1.0  1.00   0.02  40.88) =   0.000%
          QB    LEU   98 - QD2   LEU   73   8.06 +/- 0.65   0.088% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   9.57 +/- 3.75   0.069% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.89 +/- 0.75   0.054% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  11.69 +/- 1.96   0.012% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  10.95 +/- 0.85   0.020% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  12.86 +/- 1.08   0.005% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  13.21 +/- 0.78   0.005% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  12.84 +/- 1.06   0.008% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.86 +/- 1.07   0.040% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.89 +/- 0.95   0.002% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  16.75 +/- 2.12   0.001% *  0.1382% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.47 +/- 2.66   0.001% *  0.3054% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  14.49 +/- 3.27   0.004% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  12.72 +/- 3.79   0.009% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  14.98 +/- 4.97   0.003% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  13.87 +/- 4.29   0.007% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.89 +/- 0.81   0.001% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  19.89 +/- 1.91   0.000% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  16.14 +/- 1.83   0.001% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.74 +/- 1.33   0.001% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.71 +/- 2.13   0.001% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.20 +/- 3.50   0.000% *  0.0295% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  19.46 +/- 1.02   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  26.33 +/- 3.34   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  22.39 +/- 1.62   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 169.8:
    * O T QD1   LEU   73 - QD2   LEU   73   2.01 +/- 0.06  99.690% * 97.3141% (1.00  10.0 10.00   6.22 169.82) =  99.999%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.95 +/- 0.75   0.035% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG3   LYS+ 121   7.47 +/- 4.67   0.124% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73  10.18 +/- 0.88   0.007% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   9.79 +/- 1.72   0.012% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.49 +/- 0.57   0.044% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   7.79 +/- 1.04   0.049% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   9.42 +/- 2.31   0.019% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.96 +/- 0.48   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   9.48 +/- 0.96   0.011% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  15.74 +/- 2.60   0.001% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  13.49 +/- 1.37   0.001% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.00 +/- 1.51   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  21.63 +/- 2.20   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.6:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.72 +/- 0.10  99.702% * 99.4757% (0.64  10.0 10.00   6.31 187.60) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   7.62 +/- 0.79   0.256% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.24 +/- 0.89   0.005% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  13.96 +/- 1.78   0.008% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  15.35 +/- 1.65   0.005% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  13.28 +/- 1.49   0.009% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.74 +/- 1.00   0.007% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.40 +/- 0.76   0.002% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.55 +/- 0.92   0.005% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.91 +/- 1.53   0.001% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.6:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.30 +/- 0.23  99.902% * 99.1206% (0.80  10.0 10.00   6.28 187.60) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.75 +/- 0.55   0.041% *  0.0915% (0.74   1.0  1.00   0.02   6.31) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.34 +/- 1.13   0.009% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  10.15 +/- 1.99   0.032% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.33 +/- 0.64   0.005% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  11.69 +/- 0.43   0.007% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  12.94 +/- 0.52   0.004% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  19.10 +/- 0.81   0.000% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.56 +/- 0.91   0.000% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  21.23 +/- 0.79   0.000% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.79, support = 5.56, residual support = 184.7:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.51 +/- 0.08  80.280% * 92.2578% (0.80  10.0 10.00   5.57 187.60) =  98.143%  kept
          HB    VAL   75 - HA    LYS+  74   4.56 +/- 0.42  19.108% *  7.3336% (0.25   1.0  1.00   5.15  30.93) =   1.857%  kept
          QD1   LEU   67 - HA    LYS+  74   9.87 +/- 1.38   0.226% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    LYS+  74   9.63 +/- 0.67   0.211% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  11.34 +/- 1.19   0.086% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  13.76 +/- 0.55   0.023% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  12.86 +/- 1.05   0.039% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  13.50 +/- 0.86   0.027% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.39 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.6:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.86 +/- 0.59  99.812% * 99.2156% (0.80 10.00   5.91 187.60) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74  10.98 +/- 1.24   0.081% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  11.01 +/- 0.74   0.057% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  12.76 +/- 1.11   0.029% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  14.15 +/- 1.64   0.015% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.80 +/- 0.65   0.001% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  18.25 +/- 1.28   0.003% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  21.00 +/- 1.06   0.001% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.63 +/- 1.38   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.19 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.6:
    *   T QE    LYS+  74 - HA    LYS+  74   2.65 +/- 0.47  99.369% * 99.7560% (0.80 10.00   4.93 187.60) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   7.20 +/- 0.58   0.521% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYSS  50 - HA    LYS+  74  10.08 +/- 0.97   0.085% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  11.47 +/- 0.47   0.023% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.74 +/- 0.48   0.002% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.16 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.6:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.72 +/- 0.10  99.983% * 99.8966% (0.64  10.0 10.00   6.31 187.60) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.99 +/- 0.56   0.009% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  13.23 +/- 0.78   0.008% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.6:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.02 +/- 0.03  99.339% * 99.1206% (0.80  10.0 10.00   5.85 187.60) =  99.999%  kept
          HG13  ILE   19 - HB2   LYS+  74   7.50 +/- 0.86   0.519% *  0.0915% (0.74   1.0  1.00   0.02   6.31) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  11.57 +/- 1.19   0.040% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.66 +/- 0.93   0.020% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  11.12 +/- 1.82   0.061% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  14.74 +/- 0.83   0.008% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  14.14 +/- 0.48   0.010% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  21.04 +/- 0.95   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.99 +/- 1.14   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.05 +/- 0.91   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.09 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.6:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.67 +/- 0.09  99.317% * 97.9320% (0.80  10.0 10.00   5.27 187.60) =  99.999%  kept
        T QD1   LEU   67 - HB2   LYS+  74  10.01 +/- 1.71   0.068% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  74   6.57 +/- 0.51   0.527% *  0.0302% (0.25   1.0  1.00   0.02  30.93) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  12.64 +/- 1.16   0.011% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.48 +/- 0.94   0.066% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.75 +/- 0.57   0.003% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.88 +/- 1.04   0.004% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.35 +/- 0.97   0.005% *  0.0368% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.6:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.38 +/- 0.43  99.960% * 97.4681% (0.80  10.0 10.00   6.31 187.60) = 100.000%  kept
        T QD    LYS+  65 - HB2   LYS+  74  13.53 +/- 1.88   0.007% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LYS+  74  11.07 +/- 1.14   0.016% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  12.53 +/- 0.94   0.008% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  12.41 +/- 1.42   0.007% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.97 +/- 1.22   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  23.03 +/- 1.10   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.57 +/- 0.78   0.000% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.66 +/- 1.42   0.000% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.6:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.91 +/- 0.65  98.819% * 99.7560% (0.80 10.00   4.62 187.60) = 100.000%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.98 +/- 0.89   1.043% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYSS  50 - HB2   LYS+  74  10.30 +/- 1.04   0.090% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  11.73 +/- 0.95   0.044% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  17.75 +/- 0.97   0.003% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.6:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.30 +/- 0.23  99.939% * 99.7790% (0.80  10.0 10.00   6.28 187.60) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  11.01 +/- 0.57   0.010% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  11.02 +/- 0.68   0.010% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111   9.70 +/- 0.83   0.024% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  10.38 +/- 1.03   0.016% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  19.10 +/- 0.81   0.000% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.6:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.02 +/- 0.03  98.956% * 99.3145% (0.80  10.0 10.00   5.85 187.60) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   8.49 +/- 0.75   0.229% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.89 +/- 1.08   0.211% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  13.50 +/- 2.27   0.029% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.74 +/- 1.08   0.478% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.07 +/- 1.87   0.011% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  15.75 +/- 1.29   0.006% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  13.90 +/- 2.19   0.018% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.59 +/- 1.30   0.003% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.32 +/- 0.91   0.024% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.36 +/- 1.07   0.010% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.29 +/- 1.27   0.007% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  21.04 +/- 0.95   0.001% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.61 +/- 1.77   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  14.13 +/- 2.04   0.013% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.46 +/- 1.94   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.65 +/- 1.65   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.04 +/- 1.11   0.001% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.42 +/- 3.01   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.17 +/- 1.93   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.21 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.881% * 99.3075% (1.00  10.0 10.00   4.54 187.60) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.79 +/- 0.78   0.108% *  0.0307% (0.31   1.0  1.00   0.02  30.93) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  10.39 +/- 1.79   0.004% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.78 +/- 0.97   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.68 +/- 1.55   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.02 +/- 0.76   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.24 +/- 1.12   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.51 +/- 1.10   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  13.76 +/- 1.47   0.001% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  20.09 +/- 1.00   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.43 +/- 1.03   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  22.05 +/- 1.45   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  14.79 +/- 1.27   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.04 +/- 1.80   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.77 +/- 2.65   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.90 +/- 1.68   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.939, support = 5.53, residual support = 196.1:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.79 +/- 0.23  55.537% * 89.4618% (1.00  10.0 10.00   5.54 187.60) =  93.342%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.90 +/- 0.11  44.373% *  7.9861% (0.09  10.0 10.00   5.40 315.48) =   6.658%  kept
          QB    ALA   57 - HG2   LYS+  74   9.85 +/- 1.27   0.053% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.66 +/- 1.99   0.007% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.03 +/- 1.31   0.004% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.07 +/- 0.80   0.009% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.95 +/- 1.10   0.000% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.39 +/- 0.90   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.29 +/- 1.44   0.009% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.19 +/- 1.36   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.90 +/- 1.53   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.04 +/- 1.20   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.65 +/- 1.26   0.003% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.88 +/- 1.89   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.16 +/- 1.79   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.21 +/- 1.38   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.14 +/- 2.05   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.55 +/- 0.86   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.58 +/- 0.62  98.665% * 99.6238% (1.00  10.0 10.00   4.54 187.60) =  99.999%  kept
          QB    CYSS  50 - HG2   LYS+  74   8.62 +/- 1.39   0.650% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HG2   LYS+  74   8.01 +/- 1.10   0.609% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  10.66 +/- 1.17   0.061% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  16.24 +/- 1.19   0.003% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  18.75 +/- 1.15   0.002% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYSS  50 - HG3   LYS+ 111  14.51 +/- 1.27   0.009% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.86 +/- 1.61   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  21.70 +/- 1.75   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.58 +/- 2.34   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.6:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.51 +/- 0.08  99.891% * 99.8966% (0.80  10.0 10.00   5.57 187.60) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.50 +/- 0.60   0.052% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  12.33 +/- 0.72   0.057% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.6:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.67 +/- 0.09  99.841% * 98.5261% (0.80  10.0 10.00   5.27 187.60) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   8.45 +/- 0.66   0.111% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  15.90 +/- 1.91   0.004% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  13.06 +/- 2.30   0.026% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.29 +/- 1.10   0.002% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  14.10 +/- 2.20   0.009% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  16.63 +/- 1.31   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.30 +/- 1.32   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.31 +/- 1.17   0.003% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.74 +/- 1.76   0.001% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.988% * 99.1206% (1.00  10.0 10.00   4.54 187.60) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   9.27 +/- 0.85   0.005% *  0.0915% (0.92   1.0  1.00   0.02   6.31) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  10.01 +/- 1.68   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.42 +/- 1.44   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.97 +/- 0.96   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  14.12 +/- 0.71   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  20.09 +/- 1.00   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  14.35 +/- 0.59   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.32 +/- 1.21   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  23.83 +/- 1.06   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.6:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.89 +/- 0.13  99.842% * 99.2156% (1.00  10.0 10.00   4.97 187.60) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  74   9.71 +/- 1.18   0.109% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+  74  13.21 +/- 2.13   0.027% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  13.19 +/- 0.79   0.012% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  14.17 +/- 1.34   0.008% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.11 +/- 0.87   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.98 +/- 1.48   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  22.16 +/- 1.12   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.51 +/- 1.78   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.6:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.97 +/- 0.37  99.210% * 99.7560% (1.00  10.0 10.00   4.00 187.60) =  99.999%  kept
          QB    CYSS  50 - HG3   LYS+  74   8.58 +/- 1.43   0.371% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+  74   8.17 +/- 0.88   0.362% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  10.85 +/- 1.04   0.054% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  18.97 +/- 1.09   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.6:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.86 +/- 0.59  99.942% * 99.6012% (0.80 10.00   5.91 187.60) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.54 +/- 1.25   0.029% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  11.86 +/- 1.43   0.027% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.80 +/- 0.65   0.001% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  25.25 +/- 0.82   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.37 +/- 0.83   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.6:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.38 +/- 0.43  99.795% * 98.0482% (0.80  10.0 10.00   6.31 187.60) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  12.30 +/- 2.16   0.015% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   8.72 +/- 0.77   0.069% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.29 +/- 0.63   0.046% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  14.88 +/- 1.90   0.010% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.29 +/- 1.81   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  15.10 +/- 1.24   0.003% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  12.82 +/- 1.93   0.008% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38  10.03 +/- 0.76   0.036% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  14.25 +/- 1.33   0.006% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.23 +/- 1.10   0.001% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.57 +/- 0.78   0.000% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  19.44 +/- 3.77   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.69 +/- 1.56   0.003% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.76 +/- 1.11   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  16.05 +/- 0.49   0.002% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.25 +/- 1.27   0.003% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  18.62 +/- 2.30   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.35 +/- 1.17   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  24.12 +/- 1.33   0.000% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.20 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.843, support = 5.5, residual support = 192.7:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.79 +/- 0.23  26.694% * 90.7641% (1.00  10.0 10.00   5.54 187.60) =  83.030%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.32 +/- 0.15  72.932% *  6.7893% (0.07  10.0 10.00   5.31 217.50) =  16.969%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.01 +/- 1.09   0.182% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HD2   LYS+  74   8.71 +/- 1.22   0.046% *  0.0838% (0.92   1.0  1.00   0.02   6.31) =   0.000%
          QG2   THR   39 - QD    LYS+  38   7.04 +/- 0.16   0.099% *  0.0121% (0.13   1.0  1.00   0.02  22.48) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.52 +/- 1.98   0.027% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.28 +/- 1.26   0.005% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.75 +/- 1.35   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.84 +/- 0.90   0.008% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.89 +/- 1.12   0.003% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  13.69 +/- 1.31   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  19.19 +/- 1.36   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  13.66 +/- 1.24   0.002% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.52 +/- 1.17   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.39 +/- 0.90   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.54 +/- 1.00   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.14 +/- 2.05   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.42 +/- 1.04   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.83 +/- 0.92   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.52 +/- 1.58   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.6:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.89 +/- 0.13  97.774% * 99.2094% (1.00  10.0 10.00   4.97 187.60) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   6.78 +/- 1.17   1.573% *  0.0306% (0.31   1.0  1.00   0.02  30.93) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74   9.53 +/- 1.93   0.151% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   8.40 +/- 1.02   0.253% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.10 +/- 1.22   0.069% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  12.30 +/- 1.25   0.022% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38   9.69 +/- 0.71   0.080% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  15.09 +/- 0.85   0.006% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  12.98 +/- 1.14   0.014% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.44 +/- 1.21   0.008% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.82 +/- 0.80   0.015% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.91 +/- 1.07   0.015% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.78 +/- 1.11   0.016% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.11 +/- 0.87   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  17.67 +/- 2.32   0.002% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  20.38 +/- 0.83   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.6:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.27 +/- 0.08  99.707% * 99.4851% (1.00  10.0 10.00   4.97 187.60) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   6.97 +/- 1.37   0.239% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYSS  50 - HD2   LYS+  74   9.25 +/- 1.09   0.035% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  12.03 +/- 1.35   0.006% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.23 +/- 1.29   0.011% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  18.68 +/- 1.04   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  17.68 +/- 1.31   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.09 +/- 0.67   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYSS  50 - QD    LYS+  38  26.11 +/- 0.92   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  28.79 +/- 0.87   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.6:
    *   T HA    LYS+  74 - QE    LYS+  74   2.65 +/- 0.47  99.886% * 99.8966% (0.80 10.00   4.93 187.60) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   9.48 +/- 1.14   0.058% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74   9.80 +/- 1.30   0.056% *  0.0278% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.6:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.91 +/- 0.65  99.348% * 99.4757% (0.80 10.00   4.62 187.60) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   8.28 +/- 0.87   0.302% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74  10.85 +/- 1.94   0.105% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  12.50 +/- 1.85   0.048% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.21 +/- 1.36   0.022% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  11.33 +/- 1.49   0.068% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  14.81 +/- 1.36   0.013% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.90 +/- 1.28   0.051% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  12.81 +/- 1.53   0.035% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  16.48 +/- 1.52   0.007% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.17 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.58 +/- 0.62  99.077% * 99.1206% (1.00  10.0 10.00   4.54 187.60) =  99.999%  kept
          HG13  ILE   19 - QE    LYS+  74   8.38 +/- 1.10   0.358% *  0.0915% (0.92   1.0  1.00   0.02   6.31) =   0.000%
          QG2   ILE   56 - QE    LYS+  74   7.84 +/- 1.76   0.462% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.15 +/- 1.22   0.028% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  11.54 +/- 1.09   0.027% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  11.59 +/- 1.24   0.023% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  16.24 +/- 1.19   0.003% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  11.67 +/- 1.16   0.020% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.33 +/- 1.30   0.002% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.16 +/- 1.07   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.6:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.97 +/- 0.37  96.403% * 99.5285% (1.00  10.0 10.00   4.00 187.60) =  99.998%  kept
          HB    VAL   75 - QE    LYS+  74   6.01 +/- 0.85   2.813% *  0.0307% (0.31   1.0  1.00   0.02  30.93) =   0.001%
          QD1   LEU   67 - QE    LYS+  74   8.39 +/- 1.39   0.404% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.22 +/- 1.06   0.187% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  10.66 +/- 1.31   0.073% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  11.08 +/- 1.34   0.065% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  12.97 +/- 1.04   0.021% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.47 +/- 1.44   0.034% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.6:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.27 +/- 0.08  99.849% * 99.2156% (1.00  10.0 10.00   4.97 187.60) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   8.13 +/- 1.24   0.124% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  11.14 +/- 1.82   0.013% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  11.74 +/- 1.18   0.007% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  12.52 +/- 1.27   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  18.68 +/- 1.04   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.86 +/- 1.37   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  18.05 +/- 1.48   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.40 +/- 1.56   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HB    VAL   75 - HA    VAL   75   2.77 +/- 0.35  98.643% * 99.3939% (1.00  10.0 10.00   3.44  84.38) = 100.000%  kept
          HG3   LYS+  74 - HA    VAL   75   6.06 +/- 0.45   1.320% *  0.0307% (0.31   1.0  1.00   0.02  30.93) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  15.24 +/- 1.04   0.005% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  13.11 +/- 1.38   0.014% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  13.49 +/- 1.06   0.010% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  14.79 +/- 0.60   0.006% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.20 +/- 0.61   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG1   VAL   75 - HA    VAL   75   2.61 +/- 0.18  99.997% * 99.9055% (1.00  10.0 10.00   4.00  84.38) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  15.11 +/- 1.38   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG2   VAL   75 - HA    VAL   75   2.50 +/- 0.36  99.979% * 99.9036% (1.00  10.0 10.00   4.00  84.38) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.77 +/- 0.89   0.021% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HA    VAL   75 - HB    VAL   75   2.77 +/- 0.35  99.980% * 99.7003% (1.00  10.0 10.00   3.44  84.38) = 100.000%  kept
        T HA    ILE  119 - HB    VAL   75  17.48 +/- 1.62   0.003% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HB    VAL   75  16.49 +/- 1.98   0.004% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  14.53 +/- 1.55   0.009% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  16.02 +/- 0.90   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.01  99.998% * 99.9055% (1.00  10.0 10.00   3.44  84.38) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  13.93 +/- 1.94   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.4:
    * O T QG2   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.982% * 99.0442% (1.00  10.0 10.00   3.31  84.38) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.60 +/- 1.09   0.018% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HA    VAL   75 - QG1   VAL   75   2.61 +/- 0.18  99.979% * 99.6578% (1.00  10.0 10.00   4.00  84.38) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  13.51 +/- 1.11   0.006% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  14.59 +/- 1.17   0.004% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.72 +/- 0.45   0.008% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.76 +/- 0.94   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.01  99.899% * 99.7607% (1.00  10.0 10.00   3.44  84.38) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   7.02 +/- 0.46   0.084% *  0.0308% (0.31   1.0  1.00   0.02  30.93) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  11.17 +/- 0.78   0.005% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  11.09 +/- 0.52   0.005% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  11.86 +/- 1.10   0.004% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  12.67 +/- 1.05   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.45 +/- 0.51   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG2   VAL   75 - QG1   VAL   75   2.08 +/- 0.04  99.984% * 99.9036% (1.00  10.0 10.00   4.00  84.38) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.20 +/- 0.65   0.016% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HA    VAL   75 - QG2   VAL   75   2.50 +/- 0.36  99.975% * 99.8572% (1.00  10.0 10.00   4.00  84.38) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  14.41 +/- 0.97   0.004% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  12.29 +/- 1.26   0.013% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  14.62 +/- 1.15   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.50 +/- 0.46   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.4:
    * O T HB    VAL   75 - QG2   VAL   75   2.13 +/- 0.01  99.787% * 99.7607% (1.00  10.0 10.00   3.31  84.38) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.19 +/- 0.27   0.174% *  0.0308% (0.31   1.0  1.00   0.02  30.93) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.49 +/- 0.84   0.015% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  10.11 +/- 1.17   0.011% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  10.32 +/- 0.57   0.008% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  12.00 +/- 0.88   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.93 +/- 0.60   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG1   VAL   75 - QG2   VAL   75   2.08 +/- 0.04  99.997% * 99.9055% (1.00  10.0 10.00   4.00  84.38) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  12.09 +/- 1.03   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 36.4:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.94 +/- 0.11  95.058% * 99.1090% (1.00  10.0 10.00   2.93  36.39) =  99.997%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.71 +/- 0.60   2.154% *  0.0720% (0.73   1.0  1.00   0.02   4.10) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   6.83 +/- 1.24   2.221% *  0.0362% (0.04   1.0 10.00   0.02  10.20) =   0.001%
          HB2   ASN   69 - HA    LEU   67   7.11 +/- 0.53   0.536% *  0.0159% (0.16   1.0  1.00   0.02   3.07) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  12.68 +/- 2.01   0.022% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  17.99 +/- 1.59   0.002% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  21.09 +/- 1.65   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  21.99 +/- 1.57   0.001% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.51 +/- 0.51   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  23.80 +/- 0.39   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  25.64 +/- 1.53   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  21.30 +/- 1.24   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.4:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.75 +/- 0.19  99.403% * 99.2676% (0.87  10.0 10.00   3.00  36.39) =  99.999%  kept
          HG3   MET   92 - HA    ASP-  76   7.25 +/- 1.11   0.490% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  11.54 +/- 1.66   0.046% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  12.62 +/- 0.33   0.012% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  15.66 +/- 0.68   0.003% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.97 +/- 2.23   0.022% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.82 +/- 1.41   0.008% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.51 +/- 0.79   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  21.39 +/- 1.43   0.001% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  15.02 +/- 1.66   0.006% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.14 +/- 0.83   0.001% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  14.77 +/- 1.20   0.005% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  24.96 +/- 1.19   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  19.85 +/- 1.40   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  20.99 +/- 2.14   0.001% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  23.00 +/- 1.26   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 36.4:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.94 +/- 0.11  97.709% * 99.3094% (1.00  10.0 10.00   2.93  36.39) =  99.999%  kept
        T HA    LEU   67 - QE    LYS+  66   6.83 +/- 1.24   2.264% *  0.0515% (0.05   1.0 10.00   0.02  10.20) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  12.68 +/- 2.01   0.023% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  17.99 +/- 1.59   0.002% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  21.09 +/- 1.65   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  21.99 +/- 1.57   0.001% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.93, residual support = 36.4:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.932% * 98.9845% (0.87  10.0 10.00   2.93  36.39) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   8.15 +/- 1.78   0.045% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76   9.56 +/- 1.31   0.005% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   9.25 +/- 1.81   0.011% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  12.54 +/- 2.33   0.002% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  14.81 +/- 0.76   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.79 +/- 1.69   0.001% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  17.79 +/- 1.96   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.06 +/- 1.44   0.001% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  14.49 +/- 0.46   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.55 +/- 1.68   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  17.58 +/- 2.53   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.98 +/- 0.90   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.78 +/- 1.26   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.46 +/- 1.77   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  20.81 +/- 1.02   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  20.39 +/- 2.37   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.67 +/- 1.43   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  26.14 +/- 1.20   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  21.37 +/- 1.83   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  23.53 +/- 1.91   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  20.48 +/- 2.44   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  22.15 +/- 1.87   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  21.83 +/- 1.07   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.4:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.75 +/- 0.19  99.999% * 99.7513% (0.87  10.0 10.00   3.00  36.39) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  21.39 +/- 1.43   0.001% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.93, residual support = 36.4:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  99.465% * 99.3726% (0.87  10.0 10.00   2.93  36.39) = 100.000%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.95 +/- 0.84   0.535% *  0.0722% (0.63   1.0  1.00   0.02   4.10) =   0.000%
        T QE    LYS+  33 - HB3   ASP-  76  17.79 +/- 1.96   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.55 +/- 1.68   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  14.88 +/- 0.92   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  24.64 +/- 0.76   0.000% *  0.0974% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HB    THR   77 - HA    THR   77   2.53 +/- 0.06  99.413% * 99.3000% (1.00  10.0 10.00   3.00  37.68) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.22 +/- 0.27   0.478% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   8.84 +/- 0.45   0.059% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77   9.89 +/- 0.51   0.030% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.50 +/- 0.53   0.012% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  13.76 +/- 0.65   0.004% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  18.74 +/- 0.62   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  15.69 +/- 1.62   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  24.07 +/- 0.41   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.48 +/- 0.98   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  33.10 +/- 3.00   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  30.88 +/- 1.84   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T QG2   THR   77 - HA    THR   77   2.41 +/- 0.09  99.956% * 99.7982% (1.00  10.0 10.00   3.00  37.68) = 100.000%  kept
          QB    ALA   88 - HA    THR   77  10.13 +/- 0.54   0.019% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   9.82 +/- 0.88   0.025% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  18.93 +/- 1.05   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  24.16 +/- 0.53   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  26.95 +/- 0.55   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - HB    THR   77   2.53 +/- 0.06  99.973% * 99.9104% (1.00  10.0 10.00   3.00  37.68) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77  10.85 +/- 1.12   0.019% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  12.62 +/- 0.70   0.007% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 37.7:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  99.984% * 99.5496% (1.00  10.0 10.00   2.82  37.68) = 100.000%  kept
        T QG2   THR   23 - HB    THR   77  11.74 +/- 0.85   0.004% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB    THR   77   9.98 +/- 0.73   0.011% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  17.62 +/- 1.14   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  25.55 +/- 0.59   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  28.86 +/- 0.61   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - QG2   THR   77   2.41 +/- 0.09  99.835% * 99.9104% (1.00  10.0 10.00   3.00  37.68) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   7.68 +/- 0.93   0.141% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77   9.77 +/- 0.73   0.025% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 37.7:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  99.759% * 99.3000% (1.00  10.0 10.00   2.82  37.68) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   6.99 +/- 0.53   0.096% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   7.81 +/- 0.73   0.053% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.40 +/- 0.16   0.061% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77   9.55 +/- 0.66   0.014% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.48 +/- 0.76   0.008% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  11.08 +/- 1.53   0.007% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  14.92 +/- 0.69   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.74 +/- 0.47   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  21.26 +/- 0.86   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  27.98 +/- 2.27   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  26.01 +/- 1.37   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.77, residual support = 36.0:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.79 +/- 0.16  97.939% * 99.6931% (1.00  10.0 10.00   2.77  35.97) =  99.998%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.52 +/- 0.68   2.050% *  0.0724% (0.73   1.0  1.00   0.02   4.10) =   0.002%
          HB2   ASP-  86 - HA    ASP-  78  13.43 +/- 0.62   0.009% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  18.16 +/- 0.57   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.49 +/- 1.65   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  23.02 +/- 2.03   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  29.78 +/- 0.42   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 36.0:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.86 +/- 0.21  99.893% * 99.8720% (1.00  10.0 10.00   2.31  35.97) = 100.000%  kept
          QB    CYSS  50 - HA    ASP-  78   9.78 +/- 0.83   0.076% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.82 +/- 1.24   0.031% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  26.88 +/- 1.27   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.02 +/- 1.62   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.77, residual support = 36.0:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.79 +/- 0.16  99.702% * 99.8154% (1.00  10.0 10.00   2.77  35.97) = 100.000%  kept
          HA    LEU   80 - HB2   ASP-  78   8.09 +/- 0.48   0.202% *  0.0486% (0.49   1.0  1.00   0.02   2.86) =   0.000%
          HA    THR   23 - HB2   ASP-  78   9.74 +/- 0.84   0.075% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  12.04 +/- 0.95   0.020% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  24.85 +/- 0.61   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.32, residual support = 36.0:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.988% * 99.8720% (1.00  10.0 10.00   2.32  35.97) = 100.000%  kept
          QB    CYSS  50 - HB2   ASP-  78   8.90 +/- 1.25   0.009% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  11.01 +/- 1.39   0.003% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.74 +/- 1.74   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.51 +/- 1.89   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 36.0:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.86 +/- 0.21  99.656% * 99.8154% (1.00  10.0 10.00   2.31  35.97) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   8.17 +/- 0.56   0.234% *  0.0486% (0.49   1.0  1.00   0.02   2.86) =   0.000%
          HA    THR   23 - HB3   ASP-  78   9.80 +/- 0.86   0.085% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  12.12 +/- 1.09   0.025% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  24.46 +/- 0.76   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.32, residual support = 36.0:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  98.699% * 99.6931% (1.00  10.0 10.00   2.32  35.97) =  99.999%  kept
          HB2   ASP-  76 - HB3   ASP-  78   4.03 +/- 0.78   1.300% *  0.0724% (0.73   1.0  1.00   0.02   4.10) =   0.001%
          HB2   ASP-  86 - HB3   ASP-  78  14.90 +/- 0.61   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.17 +/- 0.74   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.59 +/- 1.66   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  21.46 +/- 2.35   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  28.79 +/- 0.57   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 53.4:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.86 +/- 0.19  99.967% * 98.4729% (1.00  10.0 10.00   4.13  53.40) = 100.000%  kept
          HG2   MET   92 - HA    GLU-  79  12.48 +/- 0.86   0.017% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  79  13.16 +/- 0.59   0.011% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  15.95 +/- 0.83   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  26.48 +/- 1.20   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  21.95 +/- 1.22   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  29.81 +/- 2.89   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 53.4:
    * O T QG    GLU-  79 - HA    GLU-  79   2.55 +/- 0.24  99.998% * 99.7507% (1.00  10.0 10.00   3.48  53.40) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  18.87 +/- 1.31   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  20.67 +/- 0.66   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  22.78 +/- 0.66   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.38 +/- 2.34   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  28.52 +/- 0.73   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 53.4:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.86 +/- 0.19  99.680% * 99.4064% (1.00  10.0 10.00   4.13  53.40) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.76 +/- 0.34   0.284% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.53 +/- 0.78   0.017% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  13.14 +/- 0.65   0.013% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  16.90 +/- 0.94   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  17.74 +/- 1.65   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  21.61 +/- 0.91   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.31 +/- 0.73   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  30.25 +/- 3.35   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 53.4:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.31 +/- 0.10  99.999% * 99.7507% (1.00  10.0 10.00   3.30  53.40) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  17.35 +/- 1.20   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.02 +/- 0.85   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  20.77 +/- 0.85   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  26.61 +/- 0.87   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.77 +/- 2.22   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 53.4:
    * O T HA    GLU-  79 - QG    GLU-  79   2.55 +/- 0.24  99.905% * 99.4064% (1.00  10.0 10.00   3.48  53.40) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.65 +/- 0.25   0.075% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.60 +/- 0.38   0.008% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.64 +/- 0.75   0.009% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.80 +/- 1.12   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  17.42 +/- 1.63   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.24 +/- 0.70   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.17 +/- 0.99   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  26.57 +/- 3.37   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 53.4:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.31 +/- 0.10  99.972% * 99.5443% (1.00  10.0 10.00   3.30  53.40) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79   9.82 +/- 0.90   0.021% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  12.18 +/- 0.75   0.005% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  15.53 +/- 0.91   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.08 +/- 1.01   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  21.48 +/- 1.27   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  24.44 +/- 2.73   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.55, residual support = 82.3:
    *   T QD1   LEU   80 - HA    LEU   80   2.57 +/- 0.63  99.911% * 98.6414% (0.65 10.00   5.55  82.34) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  13.06 +/- 1.02   0.018% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  11.04 +/- 0.99   0.050% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  13.14 +/- 0.77   0.015% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  17.72 +/- 1.18   0.002% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  16.36 +/- 0.82   0.003% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 82.3:
    * O   HA    LEU   80 - HB2   LEU   80   2.57 +/- 0.34  97.696% * 99.6992% (1.00  10.0   4.99  82.34) =  99.998%  kept
          HA    THR   23 - HB2   LEU   80   5.65 +/- 1.19   1.889% *  0.0798% (0.80   1.0   0.02   6.67) =   0.002%
          HB    THR   23 - HB2   LEU   80   7.74 +/- 1.29   0.181% *  0.0962% (0.97   1.0   0.02   6.67) =   0.000%
          HA    ASP-  78 - HB2   LEU   80   8.06 +/- 0.79   0.234% *  0.0485% (0.49   1.0   0.02   2.86) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  20.28 +/- 1.12   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.2, residual support = 82.3:
    * O T QD1   LEU   80 - HB2   LEU   80   2.65 +/- 0.35  99.866% * 97.5236% (0.65  10.0 10.00   5.20  82.34) =  99.999%  kept
        T QG2   VAL   41 - HB2   LEU   80  11.47 +/- 0.72   0.023% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  11.41 +/- 1.10   0.026% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   9.38 +/- 0.99   0.076% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  15.96 +/- 1.48   0.003% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  14.64 +/- 1.19   0.005% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.638, support = 5.3, residual support = 77.2:
    *   T HA    LEU   80 - QD1   LEU   80   2.57 +/- 0.63  49.296% * 92.2806% (0.65 10.00   5.55  82.34) =  93.154%  kept
          HA    THR   23 - QD1   LEU   80   2.91 +/- 1.34  48.951% *  6.8264% (0.52  1.00   1.85   6.67) =   6.843%  kept
          HB    THR   23 - QD1   LEU   80   4.81 +/- 1.28   1.166% *  0.0891% (0.62  1.00   0.02   6.67) =   0.002%
          HA    ASP-  78 - QD1   LEU   80   6.85 +/- 0.57   0.477% *  0.0449% (0.31  1.00   0.02   2.86) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  13.06 +/- 1.02   0.011% *  0.5290% (0.37 10.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD2   LEU   98   8.60 +/- 0.76   0.085% *  0.0404% (0.28  1.00   0.02   0.55) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.57 +/- 0.74   0.005% *  0.0424% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.20 +/- 0.68   0.004% *  0.0510% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  18.09 +/- 1.14   0.002% *  0.0705% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  16.67 +/- 0.71   0.002% *  0.0257% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.7:
    * O T QB    LYS+  81 - HA    LYS+  81   2.38 +/- 0.10  99.872% * 97.5498% (1.00  10.0 10.00   4.97 100.71) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   8.73 +/- 1.34   0.094% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81   9.86 +/- 1.30   0.029% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  19.34 +/- 1.40   0.000% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  14.64 +/- 0.75   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  16.11 +/- 1.23   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  15.84 +/- 0.68   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  19.18 +/- 2.13   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  19.85 +/- 0.85   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  19.95 +/- 0.96   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  29.05 +/- 1.45   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  21.72 +/- 0.69   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.60 +/- 0.43   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  24.86 +/- 1.09   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  29.20 +/- 2.20   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 100.7:
    * O T QG    LYS+  81 - HA    LYS+  81   2.40 +/- 0.25  99.996% * 98.1658% (1.00  10.0 10.00   4.13 100.71) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  17.58 +/- 1.10   0.001% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  22.12 +/- 0.84   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  14.52 +/- 1.06   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  20.54 +/- 1.31   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 100.7:
    *   T QD    LYS+  81 - HA    LYS+  81   3.74 +/- 0.56  99.916% * 99.7569% (1.00 10.00   3.44 100.71) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  12.76 +/- 0.44   0.081% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  24.44 +/- 0.53   0.002% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  24.57 +/- 0.78   0.002% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 100.7:
    *   T QE    LYS+  81 - HA    LYS+  81   3.37 +/- 0.72  99.946% * 99.9825% (1.00 10.00   3.44 100.71) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  13.26 +/- 0.93   0.054% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.7:
    * O T HA    LYS+  81 - QB    LYS+  81   2.38 +/- 0.10  99.917% * 98.7606% (1.00  10.0 10.00   4.97 100.71) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   8.01 +/- 0.21   0.071% *  0.0733% (0.07   1.0 10.00   0.02   1.73) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  18.62 +/- 1.09   0.000% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  16.11 +/- 1.23   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.32 +/- 1.17   0.007% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  14.41 +/- 0.70   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  20.91 +/- 1.22   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  26.89 +/- 3.98   0.001% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  25.92 +/- 0.64   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  23.45 +/- 1.44   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  31.52 +/- 1.93   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.36 +/- 0.92   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.05 +/- 0.99   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.61 +/- 0.85   0.000% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.7:
    * O T QG    LYS+  81 - QB    LYS+  81   2.09 +/- 0.03  99.987% * 97.8497% (1.00  10.0 10.00   4.44 100.71) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  17.72 +/- 1.00   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  14.83 +/- 0.93   0.001% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  21.31 +/- 0.75   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  17.50 +/- 1.49   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  10.26 +/- 1.38   0.009% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.82 +/- 0.95   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  14.66 +/- 1.34   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  20.23 +/- 1.29   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.26 +/- 1.27   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 100.7:
    * O T QD    LYS+  81 - QB    LYS+  81   2.30 +/- 0.12  99.995% * 99.6151% (1.00  10.0 10.00   3.74 100.71) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  13.56 +/- 0.42   0.003% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  15.16 +/- 1.27   0.002% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  23.83 +/- 0.46   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.11 +/- 0.98   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.62 +/- 0.71   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  26.23 +/- 1.01   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  24.72 +/- 1.53   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 100.7:
    *     QE    LYS+  81 - QB    LYS+  81   2.39 +/- 0.57  99.902% * 99.8347% (1.00   3.74 100.71) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  12.39 +/- 1.12   0.025% *  0.0934% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52   9.47 +/- 0.28   0.068% *  0.0107% (0.02   0.02   3.50) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  14.59 +/- 1.55   0.005% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 100.7:
    * O T HA    LYS+  81 - QG    LYS+  81   2.40 +/- 0.25  99.861% * 98.8267% (1.00  10.0 10.00   4.13 100.71) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.10 +/- 0.42   0.078% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.40 +/- 0.46   0.036% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  17.58 +/- 1.10   0.001% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  22.12 +/- 0.84   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  17.12 +/- 1.07   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.03 +/- 1.80   0.016% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  14.36 +/- 0.75   0.003% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  25.76 +/- 0.66   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  20.16 +/- 2.70   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  23.89 +/- 4.40   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  17.73 +/- 1.26   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  20.20 +/- 1.20   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  16.84 +/- 1.05   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.56 +/- 1.50   0.000% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.04 +/- 0.85   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  30.81 +/- 2.07   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  26.18 +/- 2.06   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.98 +/- 1.17   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.15 +/- 1.76   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.22 +/- 0.90   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.804, support = 4.79, residual support = 115.0:
    * O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.03  41.954% * 57.8388% (1.00  10.0 10.00   4.44 100.71) =  68.304%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.24 +/- 0.03  27.960% * 26.7248% (0.46  10.0 10.00   5.67 150.46) =  21.033%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.22 +/- 0.06  29.831% * 12.6979% (0.22  10.0 10.00   5.31 136.19) =  10.662%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.72 +/- 0.72   0.137% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.51 +/- 0.52   0.053% *  0.0104% (0.18   1.0  1.00   0.02   0.16) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.40 +/- 1.29   0.009% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.66 +/- 0.29   0.043% *  0.0114% (0.20   1.0  1.00   0.02  23.13) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  14.89 +/- 0.76   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81   9.57 +/- 1.34   0.007% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.56 +/- 0.77   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.82 +/- 1.15   0.003% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  17.25 +/- 1.17   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  14.83 +/- 0.93   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.72 +/- 1.00   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.61 +/- 0.79   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.31 +/- 0.75   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.16 +/- 1.30   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  15.33 +/- 1.47   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  13.94 +/- 1.12   0.001% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.11 +/- 0.66   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  17.90 +/- 1.86   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.57 +/- 2.68   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.07 +/- 0.81   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  17.50 +/- 1.49   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.40 +/- 1.24   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  18.97 +/- 1.61   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.28 +/- 0.66   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.46 +/- 0.60   0.000% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.65 +/- 2.21   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.22 +/- 1.01   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.50 +/- 0.58   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.14 +/- 1.18   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.87 +/- 1.68   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.43 +/- 1.38   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.34 +/- 1.39   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.26 +/- 1.27   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.13 +/- 0.45   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.59 +/- 2.65   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.67 +/- 1.64   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.72 +/- 1.01   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  23.73 +/- 1.08   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  24.03 +/- 3.29   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  27.37 +/- 2.24   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.45 +/- 1.79   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.83 +/- 1.24   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.66, residual support = 100.7:
    * O T QD    LYS+  81 - QG    LYS+  81   2.05 +/- 0.03  99.970% * 98.8994% (1.00  10.0 10.00   3.66 100.71) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   8.80 +/- 0.94   0.020% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  13.17 +/- 0.39   0.001% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.35 +/- 0.52   0.004% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.26 +/- 1.05   0.002% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  12.81 +/- 1.64   0.002% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.32 +/- 1.21   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  18.93 +/- 1.21   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  22.34 +/- 0.66   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.76 +/- 0.45   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  22.19 +/- 0.74   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.94 +/- 0.73   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.66, residual support = 100.7:
    * O   QE    LYS+  81 - QG    LYS+  81   2.26 +/- 0.13  99.990% * 99.9005% (1.00  10.0   3.66 100.71) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  10.91 +/- 1.01   0.009% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.11 +/- 1.31   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  22.11 +/- 1.31   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.20 +/- 1.07   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  28.84 +/- 1.46   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 100.7:
    *   T HA    LYS+  81 - QD    LYS+  81   3.74 +/- 0.56  99.963% * 99.7133% (1.00 10.00   3.44 100.71) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  17.76 +/- 1.33   0.011% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  15.94 +/- 0.66   0.021% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  27.35 +/- 0.55   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.17 +/- 1.41   0.004% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  32.11 +/- 2.76   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  27.63 +/- 1.22   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 100.7:
    * O T QB    LYS+  81 - QD    LYS+  81   2.30 +/- 0.12  99.936% * 98.9997% (1.00  10.0 10.00   3.74 100.71) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   9.56 +/- 1.53   0.035% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  10.19 +/- 1.62   0.024% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  15.16 +/- 1.27   0.002% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  15.88 +/- 1.02   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  17.69 +/- 1.49   0.001% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  18.74 +/- 1.92   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  16.77 +/- 0.55   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  20.02 +/- 0.65   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  21.25 +/- 1.26   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  22.51 +/- 0.98   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  28.61 +/- 1.61   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.71 +/- 0.60   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  23.68 +/- 1.17   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  28.54 +/- 2.93   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.66, residual support = 100.7:
    * O T QG    LYS+  81 - QD    LYS+  81   2.05 +/- 0.03  99.999% * 98.1658% (1.00  10.0 10.00   3.66 100.71) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  18.93 +/- 1.21   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  22.34 +/- 0.66   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  14.60 +/- 0.97   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  20.40 +/- 1.51   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 100.7:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.02  99.993% * 99.9825% (1.00  10.0   3.00 100.71) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  10.79 +/- 1.11   0.007% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 100.7:
    *   T HA    LYS+  81 - QE    LYS+  81   3.37 +/- 0.72  99.971% * 99.7133% (1.00 10.00   3.44 100.71) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  17.38 +/- 1.25   0.008% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  15.70 +/- 1.12   0.017% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  27.07 +/- 1.13   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  20.41 +/- 1.73   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  31.36 +/- 2.51   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  27.13 +/- 1.31   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.08 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.4:
    * O T HB2   SER   82 - HA    SER   82   2.68 +/- 0.14  99.188% * 97.1708% (0.95  10.0 10.00   2.96  33.44) = 100.000%  kept
          HA    GLU-  29 - HA    GLU-  25   6.35 +/- 0.36   0.617% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.16 +/- 0.25   0.132% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HA    GLU-  25  11.90 +/- 1.39   0.019% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  15.98 +/- 1.19   0.003% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  10.73 +/- 0.43   0.026% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  19.98 +/- 1.34   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.11 +/- 0.56   0.008% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  19.43 +/- 0.64   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  18.51 +/- 1.06   0.001% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  18.19 +/- 1.10   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  25.56 +/- 0.48   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  16.97 +/- 0.43   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  20.93 +/- 1.07   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  17.70 +/- 0.68   0.001% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  22.56 +/- 0.69   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  24.06 +/- 1.02   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  27.79 +/- 1.69   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  24.42 +/- 0.67   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  29.82 +/- 1.29   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.4:
    * O T HB3   SER   82 - HA    SER   82   2.89 +/- 0.19  99.767% * 98.8194% (1.00  10.0 10.00   2.00  33.44) = 100.000%  kept
        T HB3   SER   82 - HA    GLU-  25  11.18 +/- 1.68   0.056% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.05 +/- 0.40   0.059% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.20 +/- 0.34   0.105% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYSS  53 - HA    SER   82  18.67 +/- 1.21   0.002% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  18.75 +/- 1.37   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  19.60 +/- 0.93   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.46 +/- 0.95   0.002% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.45 +/- 0.68   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  17.81 +/- 0.70   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  20.23 +/- 1.88   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYSS  53 - HA    GLU-  25  22.99 +/- 0.90   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  25.44 +/- 1.09   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  27.12 +/- 0.82   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.01 +/- 1.20   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  29.63 +/- 1.62   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  25.69 +/- 0.80   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  26.19 +/- 1.59   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.4:
    * O T HA    SER   82 - HB2   SER   82   2.68 +/- 0.14  99.922% * 97.8439% (0.95  10.0 10.00   2.96  33.44) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82  11.90 +/- 1.39   0.019% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  15.98 +/- 1.19   0.003% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HA    SER   48  10.45 +/- 0.28   0.030% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  19.98 +/- 1.34   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.91 +/- 0.86   0.015% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  19.43 +/- 0.64   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.65 +/- 0.71   0.006% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  25.56 +/- 0.48   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  16.70 +/- 1.55   0.002% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  21.10 +/- 1.20   0.000% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  20.57 +/- 1.01   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HB2   SER   82  21.31 +/- 0.86   0.000% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HA    VAL   70  20.79 +/- 0.57   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  29.75 +/- 1.08   0.000% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.4:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.546% * 96.7159% (0.95  10.0 10.00   2.33  33.44) = 100.000%  kept
          HB    THR   39 - HA    VAL   70   4.56 +/- 0.55   0.418% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   8.05 +/- 0.63   0.012% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   9.06 +/- 0.56   0.006% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  12.77 +/- 1.67   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HA    SER   48   7.80 +/- 0.42   0.013% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.86 +/- 1.09   0.000% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.23 +/- 0.42   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.23 +/- 0.52   0.002% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  20.34 +/- 1.39   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  15.07 +/- 0.94   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  25.08 +/- 1.30   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  18.94 +/- 1.30   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.57 +/- 2.07   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.09 +/- 0.59   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  21.34 +/- 1.37   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   SER   82  19.95 +/- 1.11   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  25.47 +/- 1.32   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  20.60 +/- 0.62   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  21.09 +/- 0.95   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  26.83 +/- 1.05   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  29.05 +/- 1.95   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.27 +/- 1.38   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  26.66 +/- 1.60   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  25.67 +/- 1.09   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.51 +/- 1.39   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HA    VAL   70  21.64 +/- 0.54   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.4:
    * O T HA    SER   82 - HB3   SER   82   2.89 +/- 0.19  99.942% * 99.1601% (1.00  10.0 10.00   2.00  33.44) = 100.000%  kept
        T HA    GLU-  25 - HB3   SER   82  11.18 +/- 1.68   0.056% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    CYSS  53 - HB3   SER   82  21.26 +/- 0.74   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  20.61 +/- 1.35   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  29.32 +/- 1.21   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.4:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.997% * 97.6038% (0.95  10.0 10.00   2.33  33.44) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82  10.14 +/- 0.32   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  16.86 +/- 1.09   0.000% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  19.86 +/- 0.94   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  16.58 +/- 1.82   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  25.08 +/- 1.30   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  19.32 +/- 1.81   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  22.12 +/- 1.28   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  22.50 +/- 1.75   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  28.98 +/- 1.48   0.000% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.3:
    * O T HB    VAL   83 - HA    VAL   83   2.99 +/- 0.06  99.984% * 96.5761% (0.90  10.0 10.00   3.97  87.34) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.64 +/- 1.11   0.005% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  20.07 +/- 1.43   0.001% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  22.06 +/- 1.37   0.001% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  25.60 +/- 1.73   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  17.08 +/- 1.85   0.004% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  17.81 +/- 1.35   0.002% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  18.54 +/- 0.60   0.002% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  24.49 +/- 1.63   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  24.12 +/- 0.91   0.000% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  29.41 +/- 1.34   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  30.32 +/- 1.71   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 87.3:
    * O T QG1   VAL   83 - HA    VAL   83   2.22 +/- 0.11  99.349% * 99.5865% (0.87  10.0 10.00   4.25  87.34) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   5.52 +/- 0.66   0.554% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    VAL   83   7.41 +/- 0.58   0.086% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83  10.69 +/- 0.96   0.009% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  17.78 +/- 1.01   0.000% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.40 +/- 0.86   0.001% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  20.57 +/- 1.57   0.000% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 87.3:
    * O T QG2   VAL   83 - HA    VAL   83   2.56 +/- 0.18  99.725% * 99.8380% (1.00  10.0 10.00   4.44  87.34) = 100.000%  kept
          QD1   ILE   89 - HA    VAL   83   7.43 +/- 0.63   0.226% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HA    VAL   83  10.01 +/- 1.18   0.048% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.3:
    * O T HA    VAL   83 - HB    VAL   83   2.99 +/- 0.06  99.994% * 97.8171% (0.90  10.0 10.00   3.97  87.34) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  20.10 +/- 0.70   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  23.42 +/- 1.39   0.000% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB    VAL   83  16.83 +/- 1.07   0.003% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  21.61 +/- 0.74   0.001% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.3, residual support = 87.3:
    * O T QG1   VAL   83 - HB    VAL   83   2.11 +/- 0.02  84.734% * 99.5865% (0.78  10.0 10.00   4.31  87.34) =  99.983%  kept
          QD2   LEU   80 - HB    VAL   83   3.19 +/- 0.67  15.151% *  0.0919% (0.72   1.0  1.00   0.02   0.02) =   0.017%
          QG2   ILE   89 - HB    VAL   83   6.78 +/- 0.64   0.103% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   9.57 +/- 0.87   0.011% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.26 +/- 0.89   0.001% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  17.86 +/- 0.88   0.000% *  0.1108% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  19.63 +/- 1.76   0.000% *  0.0877% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.5, residual support = 87.3:
    * O T QG2   VAL   83 - HB    VAL   83   2.11 +/- 0.02  99.919% * 99.8380% (0.90  10.0 10.00   4.50  87.34) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   7.48 +/- 0.67   0.062% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   9.31 +/- 1.07   0.019% *  0.0725% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 87.3:
    * O T HA    VAL   83 - QG1   VAL   83   2.22 +/- 0.11  99.998% * 99.7372% (0.87  10.0 10.00   4.25  87.34) = 100.000%  kept
          HA    GLU- 100 - QG1   VAL   83  16.27 +/- 1.04   0.001% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - QG1   VAL   83  15.84 +/- 0.83   0.001% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  21.14 +/- 1.16   0.000% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  17.49 +/- 1.15   0.000% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.31, residual support = 87.3:
    * O T HB    VAL   83 - QG1   VAL   83   2.11 +/- 0.02  99.992% * 99.3915% (0.78  10.0 10.00   4.31  87.34) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  12.24 +/- 1.08   0.003% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  14.95 +/- 1.67   0.001% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  13.51 +/- 1.28   0.002% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  17.98 +/- 1.34   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  16.64 +/- 1.29   0.000% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  20.78 +/- 1.83   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  15.99 +/- 0.63   0.001% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  21.04 +/- 1.72   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  21.44 +/- 0.80   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  24.83 +/- 1.45   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  25.53 +/- 1.75   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.81, residual support = 87.3:
    * O T QG2   VAL   83 - QG1   VAL   83   2.00 +/- 0.07  99.839% * 99.0399% (0.87  10.0 10.00   4.81  87.34) =  99.999%  kept
        T QD1   ILE   89 - QG1   VAL   83   7.26 +/- 0.79   0.069% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - QG1   VAL   83   7.51 +/- 1.30   0.092% *  0.0719% (0.63   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 87.3:
    * O T HA    VAL   83 - QG2   VAL   83   2.56 +/- 0.18  99.991% * 99.7372% (1.00  10.0 10.00   4.44  87.34) = 100.000%  kept
          HA    GLU- 100 - QG2   VAL   83  14.93 +/- 0.62   0.003% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - QG2   VAL   83  14.18 +/- 0.85   0.004% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  19.16 +/- 1.19   0.001% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  16.31 +/- 0.60   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.5, residual support = 87.3:
    * O T HB    VAL   83 - QG2   VAL   83   2.11 +/- 0.02  99.985% * 99.3915% (0.90  10.0 10.00   4.50  87.34) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.63 +/- 1.05   0.008% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  13.52 +/- 1.34   0.002% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  12.90 +/- 0.98   0.002% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  15.12 +/- 1.26   0.001% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  16.93 +/- 0.96   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  13.99 +/- 0.74   0.001% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  18.73 +/- 1.56   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  19.17 +/- 1.60   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  19.28 +/- 0.94   0.000% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  22.61 +/- 1.25   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  23.33 +/- 1.57   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.81, residual support = 87.3:
    * O T QG1   VAL   83 - QG2   VAL   83   2.00 +/- 0.07  88.314% * 99.3306% (0.87  10.0 10.00   4.81  87.34) =  99.986%  kept
          QD2   LEU   80 - QG2   VAL   83   3.05 +/- 0.54  10.984% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.011%
        T QG2   ILE   89 - QG2   VAL   83   5.31 +/- 0.81   0.628% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - QG2   VAL   83   6.87 +/- 0.78   0.069% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  11.83 +/- 0.91   0.003% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  13.42 +/- 0.81   0.001% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  15.68 +/- 1.25   0.000% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.95, residual support = 18.4:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  98.821% * 99.1332% (0.93  10.0 10.00   2.95  18.42) =  99.999%  kept
          HB3   LEU   80 - HA    ALA   84   4.80 +/- 0.82   1.159% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    ALA   84  11.34 +/- 0.48   0.004% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.09 +/- 0.91   0.003% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  12.83 +/- 1.15   0.002% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  11.27 +/- 0.90   0.005% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  13.90 +/- 0.89   0.001% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  13.74 +/- 0.84   0.001% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  18.21 +/- 0.62   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  15.09 +/- 0.53   0.001% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  18.30 +/- 1.14   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  19.40 +/- 1.23   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  25.14 +/- 1.13   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  20.93 +/- 0.66   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  22.14 +/- 1.53   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  23.93 +/- 1.56   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  23.92 +/- 0.79   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.95, residual support = 18.4:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  99.993% * 99.6067% (0.93  10.0 10.00   2.95  18.42) = 100.000%  kept
          HA2   GLY  109 - QB    ALA   84  11.64 +/- 1.38   0.005% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QB    ALA   84  12.70 +/- 0.62   0.002% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  17.16 +/- 0.74   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  17.90 +/- 0.90   0.000% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T QB    SER   85 - HA    SER   85   2.33 +/- 0.06  62.566% * 98.0072% (1.00  10.0 10.00   2.28  18.15) =  99.983%  kept
          HA    ALA   88 - HA    SER   85   2.56 +/- 0.20  37.413% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.017%
          HB    THR   94 - HA    SER   85   9.45 +/- 0.89   0.018% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER   85  14.67 +/- 1.16   0.001% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  16.84 +/- 1.24   0.001% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  20.47 +/- 1.05   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  20.22 +/- 1.05   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  17.04 +/- 1.20   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  20.97 +/- 0.91   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  26.82 +/- 1.22   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  27.94 +/- 1.08   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  29.47 +/- 0.94   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  25.48 +/- 0.82   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.2:
    * O T HA    SER   85 - QB    SER   85   2.33 +/- 0.06  96.052% * 96.1605% (1.00  10.0 10.00   2.28  18.15) =  99.998%  kept
          HA    ASP-  86 - QB    SER   85   4.20 +/- 0.13   3.029% *  0.0361% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - QB    SER   48   6.89 +/- 1.02   0.696% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.46 +/- 0.32   0.044% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   8.47 +/- 0.65   0.049% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   7.93 +/- 1.02   0.097% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  16.28 +/- 0.67   0.001% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.67 +/- 0.32   0.011% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.39 +/- 1.76   0.003% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  14.67 +/- 1.16   0.002% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  13.61 +/- 0.48   0.003% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.22 +/- 1.24   0.000% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.34 +/- 0.32   0.003% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  23.61 +/- 0.45   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.69 +/- 0.71   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  20.22 +/- 1.05   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.92 +/- 1.70   0.001% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.47 +/- 1.73   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  23.08 +/- 0.75   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.39 +/- 0.91   0.003% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.13 +/- 0.49   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.50 +/- 0.82   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  17.61 +/- 1.04   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.66 +/- 1.44   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  19.87 +/- 1.26   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.47 +/- 3.07   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.98 +/- 0.80   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  21.68 +/- 0.90   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.47 +/- 1.08   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  32.08 +/- 1.96   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  24.65 +/- 1.71   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  32.15 +/- 2.85   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  29.72 +/- 2.15   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  26.51 +/- 1.20   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  33.13 +/- 2.71   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  31.22 +/- 1.99   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 41.9:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.05 +/- 0.01  99.979% * 99.6568% (1.00  10.0 10.00   3.50  41.91) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  13.54 +/- 0.85   0.014% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  19.21 +/- 1.28   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  20.52 +/- 1.28   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  16.64 +/- 0.44   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  27.17 +/- 1.33   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.9:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.55 +/- 0.05  99.976% * 98.9853% (1.00  10.0 10.00   2.00  41.91) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  86  11.46 +/- 0.82   0.013% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    ASP-  86  12.27 +/- 0.48   0.008% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  17.89 +/- 1.15   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  26.39 +/- 0.84   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  18.00 +/- 0.62   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  24.18 +/- 1.50   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  23.90 +/- 0.88   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 41.9:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.05 +/- 0.01  97.593% * 99.5343% (1.00  10.0 10.00   3.50  41.91) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.69 +/- 0.08   2.319% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - HB2   ASP-  86  11.17 +/- 0.71   0.044% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  12.16 +/- 0.51   0.025% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  13.47 +/- 0.96   0.015% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  17.46 +/- 0.95   0.003% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  26.64 +/- 0.99   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  30.98 +/- 2.20   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  32.34 +/- 3.31   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 41.9:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.993% * 99.6638% (1.00  10.0 10.00   2.87  41.91) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86  10.14 +/- 0.50   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86   9.81 +/- 0.90   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  15.55 +/- 0.98   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  16.35 +/- 0.57   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  24.08 +/- 0.86   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  22.76 +/- 1.48   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  21.65 +/- 0.87   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.9:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.55 +/- 0.05  99.420% * 99.5343% (1.00  10.0 10.00   2.00  41.91) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   6.18 +/- 0.42   0.561% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.000%
          HB    THR   77 - HB3   ASP-  86  12.20 +/- 0.97   0.010% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  13.49 +/- 0.58   0.005% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  14.12 +/- 1.60   0.004% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  18.13 +/- 1.56   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  27.46 +/- 1.05   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  31.62 +/- 2.36   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  32.88 +/- 3.49   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 41.9:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.998% * 99.6568% (1.00  10.0 10.00   2.87  41.91) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  11.36 +/- 0.81   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  17.39 +/- 1.37   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  18.62 +/- 1.39   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  15.82 +/- 0.93   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  25.94 +/- 1.54   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.24 +/- 0.02 100.000% * 99.9010% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  19.70 +/- 1.43   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.93 +/- 0.03  99.996% * 99.8563% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  16.63 +/- 0.94   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  24.12 +/- 1.74   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.24 +/- 0.02  99.997% * 99.8808% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  13.01 +/- 0.78   0.003% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  19.53 +/- 1.68   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  26.08 +/- 1.11   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.4:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  70.42) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  16.30 +/- 1.00   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  22.48 +/- 1.66   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.93 +/- 0.03  99.990% * 99.3033% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  18.98 +/- 1.55   0.002% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  14.05 +/- 0.67   0.009% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  26.22 +/- 1.04   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.4:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  70.42) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.89 +/- 1.38   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.13, residual support = 11.3:
    * O T QB    ALA   88 - HA    ALA   88   2.12 +/- 0.01  99.963% * 99.6403% (1.00  10.0 10.00   2.13  11.31) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   8.60 +/- 0.84   0.029% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.49 +/- 0.49   0.007% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  17.11 +/- 1.49   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  17.48 +/- 0.75   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  22.38 +/- 0.73   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  26.28 +/- 0.88   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  21.17 +/- 0.69   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.13, residual support = 11.3:
    * O T HA    ALA   88 - QB    ALA   88   2.12 +/- 0.01  99.630% * 97.3461% (1.00  10.0 10.00   2.13  11.31) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   5.43 +/- 0.13   0.361% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.68 +/- 0.40   0.006% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  14.74 +/- 1.15   0.001% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  16.42 +/- 0.87   0.000% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  17.93 +/- 0.88   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  17.91 +/- 0.58   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  18.94 +/- 0.57   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  20.62 +/- 0.64   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  22.82 +/- 0.80   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  24.66 +/- 0.90   0.000% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 213.9:
    * O T HB    ILE   89 - HA    ILE   89   2.99 +/- 0.03  99.771% * 99.6008% (0.80  10.0 10.00   5.44 213.94) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89   8.92 +/- 0.40   0.150% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.85 +/- 1.00   0.055% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  13.23 +/- 1.97   0.021% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  18.70 +/- 0.60   0.002% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  18.82 +/- 0.59   0.002% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 213.9:
    * O T QG2   ILE   89 - HA    ILE   89   2.36 +/- 0.24  99.966% * 99.9320% (1.00  10.0 10.00   6.23 213.94) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   9.53 +/- 0.44   0.033% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  15.25 +/- 0.69   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 213.9:
    * O T HG12  ILE   89 - HA    ILE   89   2.88 +/- 0.47  99.966% * 99.3078% (1.00  10.0 10.00   5.62 213.94) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  13.90 +/- 0.99   0.013% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  13.36 +/- 0.68   0.014% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  20.84 +/- 0.58   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  19.75 +/- 1.03   0.001% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  19.21 +/- 1.71   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  19.15 +/- 0.64   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  20.32 +/- 0.80   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 213.9:
    * O T HA    ILE   89 - HB    ILE   89   2.99 +/- 0.03  99.642% * 99.2091% (0.80  10.0 10.00   5.44 213.94) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43   8.92 +/- 0.40   0.150% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89   9.47 +/- 0.37   0.104% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.75 +/- 2.01   0.022% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  16.29 +/- 1.13   0.004% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.13 +/- 0.83   0.015% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  14.32 +/- 1.33   0.010% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  14.40 +/- 1.20   0.009% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  11.64 +/- 0.77   0.033% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.02 +/- 0.74   0.004% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  20.89 +/- 1.10   0.001% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  23.44 +/- 0.77   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  17.38 +/- 0.71   0.003% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.49 +/- 1.33   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  26.67 +/- 1.33   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  17.71 +/- 0.71   0.002% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.7, residual support = 213.9:
    * O T QG2   ILE   89 - HB    ILE   89   2.10 +/- 0.01  99.729% * 99.5317% (0.80  10.0 10.00   5.70 213.94) = 100.000%  kept
        T QG2   ILE   89 - HB    VAL   43   6.18 +/- 0.44   0.169% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   7.26 +/- 0.48   0.067% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.09 +/- 0.72   0.009% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   9.09 +/- 1.25   0.025% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  15.64 +/- 0.74   0.001% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.14, residual support = 213.9:
    * O T HG12  ILE   89 - HB    ILE   89   2.58 +/- 0.18  99.628% * 98.9436% (0.80  10.0 10.00   5.14 213.94) =  99.999%  kept
        T HG12  ILE   89 - HB    VAL   43   7.29 +/- 0.42   0.230% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    ILE   89  11.89 +/- 0.71   0.013% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.17 +/- 0.39   0.057% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.67 +/- 0.68   0.005% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  10.95 +/- 0.95   0.022% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.35 +/- 0.61   0.028% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  16.19 +/- 0.83   0.002% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  20.79 +/- 0.66   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  12.59 +/- 0.98   0.010% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  18.39 +/- 1.20   0.001% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  17.94 +/- 0.77   0.001% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.20 +/- 1.23   0.001% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  18.63 +/- 0.76   0.001% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  20.84 +/- 1.77   0.000% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.85 +/- 1.58   0.001% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 213.9:
    * O T HA    ILE   89 - QG2   ILE   89   2.36 +/- 0.24  99.930% * 99.5272% (1.00  10.0 10.00   6.23 213.94) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.34 +/- 0.49   0.041% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  12.09 +/- 1.06   0.006% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  10.34 +/- 1.07   0.020% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  17.12 +/- 0.80   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  19.43 +/- 0.62   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  14.53 +/- 0.61   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.75 +/- 1.01   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.7, residual support = 213.9:
    * O T HB    ILE   89 - QG2   ILE   89   2.10 +/- 0.01  99.771% * 99.0138% (0.80  10.0 10.00   5.70 213.94) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   6.18 +/- 0.44   0.169% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.93 +/- 0.91   0.047% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  10.11 +/- 1.42   0.012% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  15.36 +/- 0.53   0.001% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  15.60 +/- 0.48   0.001% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 213.9:
    * O T HG12  ILE   89 - QG2   ILE   89   3.15 +/- 0.14  99.678% * 99.3078% (1.00  10.0 10.00   5.90 213.94) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89   8.75 +/- 0.58   0.239% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  12.00 +/- 0.86   0.039% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  17.15 +/- 0.50   0.004% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  14.98 +/- 0.95   0.010% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  14.54 +/- 0.63   0.011% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  15.58 +/- 1.56   0.010% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  14.88 +/- 0.68   0.009% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 213.9:
    * O T HA    ILE   89 - HG12  ILE   89   2.88 +/- 0.47  99.532% * 98.5945% (1.00  10.0 10.00   5.62 213.94) =  99.999%  kept
        T HB    THR   39 - HG3   LYS+  99   8.74 +/- 1.28   0.312% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG12  ILE   89  10.75 +/- 1.11   0.069% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  11.33 +/- 1.33   0.054% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  15.21 +/- 1.13   0.006% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  20.84 +/- 0.58   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.51 +/- 3.03   0.006% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  19.99 +/- 0.81   0.001% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  18.84 +/- 2.40   0.003% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.59 +/- 1.61   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  22.64 +/- 0.80   0.001% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  17.26 +/- 0.83   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.64 +/- 1.30   0.006% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  26.53 +/- 1.34   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  26.05 +/- 1.43   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.61 +/- 0.70   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.677, support = 5.25, residual support = 206.7:
    * O T HB    ILE   89 - HG12  ILE   89   2.58 +/- 0.18  34.344% * 78.0851% (0.80  10.0 10.00   5.14 213.94) =  82.123%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.87 +/- 0.27  21.006% * 14.8429% (0.15  10.0  1.00   5.16 173.68) =   9.548%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.50 +/- 0.22  44.570% *  6.1021% (0.06  10.0 10.00   6.44 173.68) =   8.329%  kept
        T HB    VAL   43 - HG12  ILE   89   7.29 +/- 0.42   0.070% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.67 +/- 0.68   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  11.11 +/- 1.13   0.006% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  17.26 +/- 0.49   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.15 +/- 1.86   0.002% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  20.79 +/- 0.66   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.58 +/- 2.12   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.14 +/- 0.53   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.58 +/- 0.94   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 213.9:
    * O T QG2   ILE   89 - HG12  ILE   89   3.15 +/- 0.14  71.762% * 99.5013% (1.00  10.0 10.00   5.90 213.94) =  99.997%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.82 +/- 0.54  27.852% *  0.0062% (0.06   1.0  1.00   0.02  16.67) =   0.002%
          QG1   VAL   83 - HG12  ILE   89   7.92 +/- 0.78   0.372% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HG3   LYS+  99  17.15 +/- 0.50   0.003% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  14.23 +/- 0.74   0.009% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  18.43 +/- 1.17   0.002% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.6:
    * O T HB2   GLN   90 - HA    GLN   90   2.44 +/- 0.19  99.987% * 98.5005% (0.78  10.0 10.00   3.96  89.59) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.30 +/- 1.28   0.013% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  22.55 +/- 1.38   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  22.65 +/- 1.09   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  25.41 +/- 0.86   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.66 +/- 0.62   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 89.6:
    * O T HB3   GLN   90 - HA    GLN   90   2.75 +/- 0.20  99.029% * 99.0333% (0.82  10.0 10.00   3.97  89.59) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   7.22 +/- 0.81   0.426% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   90   6.85 +/- 0.54   0.512% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  11.30 +/- 0.35   0.023% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  16.02 +/- 1.97   0.003% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  17.64 +/- 1.35   0.002% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  17.31 +/- 0.85   0.002% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  18.58 +/- 1.21   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  18.39 +/- 0.68   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  22.04 +/- 1.09   0.000% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  22.73 +/- 0.86   0.000% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  28.85 +/- 0.59   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  28.20 +/- 2.26   0.000% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.26, residual support = 89.6:
    * O T QG    GLN   90 - HA    GLN   90   2.95 +/- 0.45  98.352% * 99.3855% (0.88  10.0 10.00   3.26  89.59) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   6.39 +/- 0.90   1.630% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  14.08 +/- 1.34   0.013% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  19.25 +/- 1.31   0.002% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  19.34 +/- 0.83   0.002% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  25.46 +/- 1.15   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  26.18 +/- 1.50   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  21.55 +/- 1.27   0.001% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  34.47 +/- 2.52   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.6:
    * O T HA    GLN   90 - HB2   GLN   90   2.44 +/- 0.19  99.978% * 98.8405% (0.78  10.0 10.00   3.96  89.59) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.30 +/- 1.28   0.013% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.53 +/- 1.61   0.003% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.68 +/- 1.65   0.001% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  14.50 +/- 0.61   0.003% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  16.95 +/- 0.89   0.001% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  18.31 +/- 0.73   0.001% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.20 +/- 2.00   0.000% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.73 +/- 1.22   0.000% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.73 +/- 0.79   0.000% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 89.6:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.944% * 96.7995% (0.67  10.0 10.00   3.99  89.59) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   6.82 +/- 0.34   0.030% *  0.0752% (0.52   1.0  1.00   0.02   1.56) =   0.000%
          QB    LYS+  81 - HB2   GLN   90   8.15 +/- 1.03   0.014% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.58 +/- 0.52   0.008% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  14.80 +/- 1.54   0.000% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  11.92 +/- 0.57   0.001% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  12.74 +/- 1.20   0.001% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  12.51 +/- 0.90   0.001% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  17.42 +/- 2.19   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  16.95 +/- 0.97   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  16.82 +/- 1.09   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  17.68 +/- 1.08   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.71 +/- 2.22   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  19.15 +/- 1.65   0.000% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.64 +/- 1.51   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  19.24 +/- 0.71   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  30.10 +/- 0.72   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  20.40 +/- 1.10   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  23.60 +/- 0.97   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  22.41 +/- 1.06   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  23.10 +/- 1.00   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  24.33 +/- 1.05   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  27.23 +/- 1.11   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  23.58 +/- 1.41   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  26.91 +/- 1.47   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  29.83 +/- 2.12   0.000% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.57, residual support = 89.6:
    * O T QG    GLN   90 - HB2   GLN   90   2.34 +/- 0.11  99.907% * 96.7466% (0.72  10.0 10.00   3.57  89.59) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  13.16 +/- 1.64   0.005% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   8.36 +/- 0.87   0.066% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  13.60 +/- 1.07   0.003% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.25 +/- 0.88   0.005% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  11.33 +/- 1.40   0.010% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  16.14 +/- 1.17   0.001% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.57 +/- 0.80   0.001% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  19.15 +/- 1.40   0.000% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  27.69 +/- 2.78   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  23.30 +/- 1.21   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.55 +/- 1.52   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.29 +/- 1.15   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  20.59 +/- 0.89   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  36.18 +/- 2.66   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  22.87 +/- 0.92   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.22 +/- 1.16   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  28.05 +/- 1.44   0.000% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 89.6:
    * O T HA    GLN   90 - HB3   GLN   90   2.75 +/- 0.20  99.979% * 99.7400% (0.82  10.0 10.00   3.97  89.59) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  13.86 +/- 1.65   0.011% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  13.95 +/- 0.75   0.008% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  19.09 +/- 1.53   0.001% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  18.28 +/- 0.74   0.001% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 89.6:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00 100.000% * 98.2851% (0.67  10.0 10.00   3.99  89.59) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.80 +/- 1.54   0.000% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  24.78 +/- 1.55   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  24.86 +/- 1.39   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  27.07 +/- 0.97   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  31.13 +/- 0.71   0.000% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.58, residual support = 89.6:
    * O T QG    GLN   90 - HB3   GLN   90   2.44 +/- 0.12  99.912% * 99.3855% (0.75  10.0 10.00   3.58  89.59) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   8.20 +/- 0.88   0.086% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  16.09 +/- 1.21   0.001% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  21.27 +/- 1.24   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  20.04 +/- 1.08   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.27 +/- 1.19   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  28.24 +/- 1.45   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  23.79 +/- 1.51   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  36.39 +/- 2.40   0.000% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.26, residual support = 89.6:
    * O T HA    GLN   90 - QG    GLN   90   2.95 +/- 0.45  99.904% * 99.7400% (0.88  10.0 10.00   3.26  89.59) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  12.34 +/- 1.45   0.035% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  11.75 +/- 1.24   0.050% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  17.35 +/- 1.53   0.004% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  15.33 +/- 0.50   0.007% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.57, residual support = 89.6:
    * O T HB2   GLN   90 - QG    GLN   90   2.34 +/- 0.11  99.994% * 97.8434% (0.72  10.0 10.00   3.57  89.59) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  13.16 +/- 1.64   0.005% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  21.39 +/- 1.10   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  21.30 +/- 1.22   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  23.17 +/- 0.55   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  26.54 +/- 0.46   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.58, residual support = 89.6:
    * O T HB3   GLN   90 - QG    GLN   90   2.44 +/- 0.12  99.290% * 98.5216% (0.75  10.0 10.00   3.58  89.59) =  99.999%  kept
          QB    LYS+  81 - QG    GLN   90   8.04 +/- 1.64   0.558% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   MET   92 - QG    GLN   90   7.85 +/- 0.42   0.102% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG    GLN   90   9.42 +/- 1.12   0.040% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  15.06 +/- 2.32   0.003% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  14.36 +/- 1.43   0.003% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  15.83 +/- 1.18   0.002% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  17.16 +/- 1.16   0.001% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  17.68 +/- 0.90   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  20.43 +/- 0.74   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  21.19 +/- 1.18   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  25.71 +/- 0.57   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  25.56 +/- 1.75   0.000% *  0.0621% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 12.9:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.01  99.986% * 98.3255% (1.00  10.0 10.00   2.28  12.93) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91  10.30 +/- 1.77   0.012% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  21.85 +/- 0.54   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  17.19 +/- 1.02   0.000% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  14.38 +/- 1.05   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  19.83 +/- 0.42   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  22.97 +/- 1.26   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.69 +/- 1.11   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  25.52 +/- 0.48   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.56 +/- 0.99   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 12.9:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.01  99.642% * 99.0540% (1.00  10.0 10.00   2.28  12.93) = 100.000%  kept
          HA    ALA  110 - QB    ALA   91   7.46 +/- 1.33   0.176% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91   8.42 +/- 0.74   0.031% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QB    ALA   91   8.93 +/- 1.97   0.039% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   7.05 +/- 0.72   0.105% *  0.0096% (0.10   1.0  1.00   0.02   1.99) =   0.000%
          HA    TRP   27 - QG2   THR   39  11.45 +/- 0.87   0.005% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  16.47 +/- 0.52   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  21.85 +/- 0.54   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  17.19 +/- 1.02   0.000% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.50 +/- 0.60   0.000% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  19.85 +/- 1.07   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.85 +/- 0.62   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.16 +/- 0.88   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.38 +/- 0.97   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  21.12 +/- 1.57   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD2   PRO   93   3.97 +/- 0.04 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.36) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HD2   PRO   93   3.87 +/- 0.06  79.928% * 99.2584% (0.73  10.0 10.00   5.40 132.36) =  99.991%  kept
          HG3   PRO   52 - HD2   PRO   93   5.68 +/- 1.82  17.827% *  0.0306% (0.22   1.0  1.00   0.02   0.96) =   0.007%
          HB    VAL  108 - HD2   PRO   93   7.79 +/- 0.83   1.521% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HD2   PRO   93   9.81 +/- 1.81   0.427% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  11.18 +/- 1.73   0.196% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  13.50 +/- 1.61   0.093% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  20.83 +/- 1.20   0.003% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  20.74 +/- 0.79   0.003% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.99 +/- 0.46   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  28.22 +/- 1.72   0.001% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  38.03 +/- 1.65   0.000% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HG2   PRO   93 - HD2   PRO   93   2.41 +/- 0.23  97.039% * 99.4388% (0.73  10.0 10.00   4.00 132.36) =  99.999%  kept
          HB3   PRO   52 - HD2   PRO   93   5.14 +/- 1.54   2.955% *  0.0307% (0.22   1.0  1.00   0.02   0.96) =   0.001%
          QB    LYS+  66 - HD2   PRO   93  16.59 +/- 1.21   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  16.48 +/- 0.97   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.79 +/- 1.23   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.17 +/- 0.37   0.000% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  18.44 +/- 2.24   0.001% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.53 +/- 0.91   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.30 +/- 0.64   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.56 +/- 1.13   0.000% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.563% * 98.6805% (0.65  10.0 10.00   4.00 132.36) = 100.000%  kept
          QB    PHE   55 - HD2   PRO   93   5.78 +/- 1.90   0.265% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HD2   PRO   93   6.10 +/- 1.65   0.164% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93   9.27 +/- 1.26   0.006% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  11.45 +/- 1.65   0.002% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  21.28 +/- 2.01   0.000% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.80 +/- 0.04  99.995% * 99.8223% (0.90  10.0 10.00   5.31 132.36) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  20.25 +/- 1.95   0.005% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.06, 3.34, 50.24 ppm):
    22 chemical-shift based assignments, quality = 0.887, support = 5.33, residual support = 130.2:
    * O T HB2   PRO   93 - HD3   PRO   93   4.11 +/- 0.06  57.464% * 95.1516% (0.90  10.0 10.00   5.40 132.36) =  98.382%  kept
          HG3   PRO   52 - HD3   PRO   93   4.73 +/- 1.55  40.471% *  2.2026% (0.28   1.0  1.00   1.50   0.96) =   1.604%  kept
        T HB2   ARG+  54 - HD3   PRO   93   8.78 +/- 1.57   0.878% *  0.8254% (0.78   1.0 10.00   0.02   0.02) =   0.013%
          HB    VAL  108 - HD3   PRO   93   9.13 +/- 0.92   0.552% *  0.0762% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   93  14.22 +/- 1.93   0.205% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   93  11.20 +/- 1.27   0.171% *  0.0294% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  18.08 +/- 1.95   0.011% *  0.1693% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  15.31 +/- 1.66   0.026% *  0.0636% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  12.35 +/- 2.68   0.130% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  20.78 +/- 1.22   0.004% *  0.2646% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  16.29 +/- 1.27   0.017% *  0.0471% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  21.37 +/- 3.04   0.007% *  0.0696% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  23.36 +/- 1.43   0.002% *  0.1469% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  28.04 +/- 1.72   0.001% *  0.3571% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  15.61 +/- 1.06   0.022% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  20.86 +/- 0.84   0.003% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  17.25 +/- 1.27   0.011% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.06 +/- 1.15   0.018% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  20.94 +/- 1.77   0.004% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  37.99 +/- 1.66   0.000% *  0.3912% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.88 +/- 0.49   0.001% *  0.0463% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.01 +/- 1.81   0.001% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.881, support = 3.93, residual support = 129.2:
    * O T HG2   PRO   93 - HD3   PRO   93   2.79 +/- 0.24  58.539% * 88.1424% (0.90  10.0 10.00   4.00 132.36) =  97.604%  kept
        T HB3   PRO   52 - HD3   PRO   93   4.42 +/- 1.26   9.621% * 10.2019% (0.28   1.0 10.00   0.75   0.96) =   1.857%  kept
          QB    LYS+  66 - HD3   PRO   68   3.75 +/- 1.29  31.337% *  0.9106% (0.14   1.0  1.00   1.29   0.02) =   0.540%  kept
          QB    LYS+  65 - HD3   PRO   68   6.82 +/- 0.84   0.424% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  11.23 +/- 0.67   0.014% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  11.45 +/- 4.01   0.033% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  16.99 +/- 1.29   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  16.55 +/- 1.02   0.001% *  0.0736% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  19.18 +/- 1.95   0.001% *  0.1569% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.88 +/- 1.66   0.020% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  19.13 +/- 2.61   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.20 +/- 0.85   0.003% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.82 +/- 0.93   0.001% *  0.0499% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.84 +/- 0.51   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  20.68 +/- 0.61   0.000% *  0.0706% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.54 +/- 0.78   0.000% *  0.0814% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  16.76 +/- 1.68   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.13 +/- 1.46   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  24.56 +/- 1.53   0.000% *  0.0484% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  22.28 +/- 1.18   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.998% * 99.5607% (0.65  10.0 10.00   4.00 132.36) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  11.78 +/- 1.33   0.001% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  21.28 +/- 2.01   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  19.20 +/- 0.90   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  21.36 +/- 1.39   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  24.42 +/- 1.52   0.000% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.4:
    * O T HB2   PRO   93 - HA    PRO   93   2.73 +/- 0.00  98.560% * 99.2584% (1.00  10.0 10.00   5.98 132.36) =  99.999%  kept
          HG3   PRO   52 - HA    PRO   93   6.59 +/- 1.48   1.136% *  0.0306% (0.31   1.0  1.00   0.02   0.96) =   0.000%
          HB    VAL  108 - HA    PRO   93   7.95 +/- 1.22   0.258% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  11.12 +/- 0.85   0.024% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  17.46 +/- 1.13   0.002% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.56 +/- 1.21   0.012% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.46 +/- 1.39   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  17.47 +/- 0.75   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.98 +/- 0.39   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  25.46 +/- 1.55   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  35.43 +/- 1.70   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  94.922% * 99.4388% (1.00  10.0 10.00   5.31 132.36) =  99.998%  kept
          HB3   PRO   52 - HA    PRO   93   7.24 +/- 1.21   4.953% *  0.0307% (0.31   1.0  1.00   0.02   0.96) =   0.002%
          QB    LYS+  66 - HA    PRO   93  16.15 +/- 1.44   0.024% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  16.05 +/- 1.13   0.023% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  16.01 +/- 0.81   0.023% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.66 +/- 0.47   0.018% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  17.65 +/- 0.51   0.012% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  19.29 +/- 0.54   0.007% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  19.28 +/- 1.97   0.013% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  20.38 +/- 0.96   0.005% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HD2   PRO   93 - HA    PRO   93   3.97 +/- 0.04  98.657% * 99.7770% (0.73  10.0 10.00   5.31 132.36) =  99.998%  kept
          HA    THR   77 - HA    PRO   93   8.75 +/- 1.27   1.314% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HA    PRO   93  15.57 +/- 0.87   0.029% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.37 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.3:
    * O T HD3   PRO   93 - HA    PRO   93   3.80 +/- 0.04  80.572% * 98.6805% (0.90  10.0 10.00   5.31 132.36) =  99.974%  kept
          HB3   CYSS  53 - HA    PRO   93   5.31 +/- 0.93  17.193% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.024%
          QB    PHE   55 - HA    PRO   93   8.00 +/- 1.37   1.676% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PRO   93   9.72 +/- 1.45   0.493% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PRO   93  12.62 +/- 0.75   0.061% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  20.25 +/- 1.95   0.004% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HG2   PRO   93 - HB2   PRO   93   2.38 +/- 0.18  99.544% * 99.0260% (1.00  10.0 10.00   5.40 132.36) = 100.000%  kept
        T HB3   PRO   52 - HB2   PRO   93   7.94 +/- 0.89   0.100% *  0.3056% (0.31   1.0 10.00   0.02   0.96) =   0.000%
          HB2   LEU   71 - HG3   GLN   30   6.75 +/- 0.77   0.301% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  14.03 +/- 1.31   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.01 +/- 0.91   0.003% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  11.81 +/- 1.32   0.009% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.89 +/- 0.99   0.028% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  15.97 +/- 0.49   0.001% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  15.60 +/- 1.01   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  16.65 +/- 0.66   0.001% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  18.59 +/- 0.68   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  16.94 +/- 1.50   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  19.44 +/- 1.34   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  15.86 +/- 1.60   0.002% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  19.05 +/- 1.04   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  16.27 +/- 1.12   0.001% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  17.15 +/- 1.04   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.81 +/- 0.95   0.001% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  23.99 +/- 1.61   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  23.76 +/- 1.29   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HD2   PRO   93 - HB2   PRO   93   3.87 +/- 0.06  96.147% * 99.6822% (0.73  10.0 10.00   5.40 132.36) =  99.999%  kept
          HA    THR   77 - HB2   PRO   93  10.88 +/- 1.35   0.263% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   GLN   30   6.82 +/- 0.51   3.535% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  16.35 +/- 1.02   0.019% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  20.83 +/- 1.20   0.004% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  14.84 +/- 0.95   0.032% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.3:
    * O T HD3   PRO   93 - HB2   PRO   93   4.11 +/- 0.06  60.473% * 97.4649% (0.90  10.0 10.00   5.40 132.36) =  99.931%  kept
          HB3   CYSS  53 - HB2   PRO   93   5.04 +/- 1.35  31.949% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.058%
          QB    PHE   55 - HB2   PRO   93   7.23 +/- 1.22   3.600% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HB2   PRO   93   7.35 +/- 1.43   3.826% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   ARG+  54 - HB2   PRO   93  12.26 +/- 1.09   0.092% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB2   PRO   93  18.08 +/- 1.95   0.012% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  16.29 +/- 1.27   0.019% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  24.75 +/- 3.41   0.005% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  20.78 +/- 1.22   0.004% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HG3   GLN   30  18.17 +/- 1.16   0.009% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  18.85 +/- 1.43   0.007% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  21.22 +/- 1.16   0.004% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HG2   PRO   93   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.36) = 100.000%  kept
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HG2   PRO   93   2.38 +/- 0.18  99.549% * 98.7141% (1.00  10.0 10.00   5.40 132.36) =  99.999%  kept
        T HG3   PRO   52 - HG2   PRO   93   7.12 +/- 1.40   0.285% *  0.3047% (0.31   1.0 10.00   0.02   0.96) =   0.001%
        T HG2   PRO   58 - HG2   PRO   93   9.52 +/- 1.73   0.044% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   PRO   93   8.34 +/- 0.98   0.066% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.50 +/- 1.68   0.046% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  11.95 +/- 1.39   0.009% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  19.44 +/- 1.34   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  19.38 +/- 0.96   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  25.84 +/- 0.71   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  26.30 +/- 1.84   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  36.07 +/- 1.68   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.41 +/- 0.23  99.991% * 99.7770% (0.73  10.0 10.00   4.00 132.36) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  12.50 +/- 1.35   0.009% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  18.58 +/- 1.01   0.001% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.79 +/- 0.24  82.790% * 98.6805% (0.90  10.0 10.00   4.00 132.36) =  99.978%  kept
          HB3   CYSS  53 - HG2   PRO   93   5.03 +/- 1.98  13.642% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.018%
          QB    PHE   55 - HG2   PRO   93   5.63 +/- 1.63   3.075% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG2   PRO   93   7.31 +/- 1.33   0.465% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  11.10 +/- 1.61   0.026% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  19.18 +/- 1.95   0.001% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - HA    THR   94   3.03 +/- 0.02  99.831% * 99.2375% (0.84  10.0 10.00   2.43  25.28) = 100.000%  kept
          QB    SER  117 - HA    THR   94  11.12 +/- 0.92   0.049% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  12.60 +/- 0.63   0.020% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  10.56 +/- 1.07   0.065% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.70 +/- 0.66   0.012% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.09 +/- 0.82   0.011% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.21 +/- 0.51   0.004% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.01 +/- 0.95   0.005% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.45 +/- 1.10   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  22.23 +/- 0.97   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.48 +/- 0.18  99.969% * 99.7175% (1.00  10.0 10.00   2.95  25.28) = 100.000%  kept
          HB3   LYS+ 112 - HA    THR   94  12.90 +/- 1.34   0.007% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  13.51 +/- 1.51   0.008% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  10.97 +/- 0.88   0.015% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  17.12 +/- 0.47   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HA    THR   94 - HB    THR   94   3.03 +/- 0.02  99.888% * 99.9751% (0.84  10.0 10.00   2.43  25.28) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.64 +/- 0.79   0.112% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  99.992% * 99.7175% (0.84  10.0 10.00   2.43  25.28) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  11.38 +/- 0.65   0.005% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.43 +/- 1.50   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  15.89 +/- 1.66   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.11 +/- 0.85   0.000% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.48 +/- 0.18  99.945% * 99.9751% (1.00  10.0 10.00   2.95  25.28) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   8.87 +/- 0.44   0.055% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  99.944% * 99.2375% (0.84  10.0 10.00   2.43  25.28) = 100.000%  kept
          QB    SER   85 - QG2   THR   94   8.50 +/- 0.47   0.029% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  11.73 +/- 0.66   0.004% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.47 +/- 0.61   0.008% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  10.34 +/- 0.86   0.009% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.43 +/- 0.61   0.002% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.26 +/- 0.66   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  14.95 +/- 0.53   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.73 +/- 0.95   0.000% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  19.23 +/- 0.71   0.000% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   3.05 +/- 0.05 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.51) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.55 +/- 0.11  99.995% * 99.8670% (1.00  10.0 10.00   4.00  73.51) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  14.10 +/- 1.12   0.004% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  19.68 +/- 0.78   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   3.05 +/- 0.05 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.51) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.999% * 99.8670% (1.00  10.0 10.00   3.31  73.51) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.49 +/- 0.96   0.001% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.56 +/- 0.79   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.55 +/- 0.11 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.51) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.51) = 100.000%  kept
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HA    MET   96   3.04 +/- 0.03  98.919% * 99.6213% (0.98  10.0 10.00   5.00 115.58) = 100.000%  kept
          HB2   ASP- 105 - HA    MET   96   6.75 +/- 0.57   1.035% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    MET   96  11.90 +/- 0.83   0.030% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.03 +/- 0.87   0.007% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.09 +/- 0.33   0.005% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  17.19 +/- 0.74   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  20.10 +/- 0.50   0.001% *  0.0564% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HB3   MET   96 - HA    MET   96   2.68 +/- 0.08  99.976% * 99.7402% (0.98  10.0 10.00   5.00 115.58) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.19 +/- 0.89   0.022% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.39 +/- 1.11   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.40 +/- 0.88   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  31.02 +/- 1.94   0.000% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HA    MET   96   2.78 +/- 0.46  99.994% * 99.6261% (0.98  10.0 10.00   4.44 115.58) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  15.21 +/- 1.56   0.006% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HA    MET   96   2.67 +/- 0.55  99.414% * 99.7437% (0.59  10.0 10.00   4.44 115.58) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96   7.30 +/- 0.58   0.574% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  14.46 +/- 0.95   0.008% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.47 +/- 1.09   0.003% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.88 +/- 1.14   0.001% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HA    MET   96 - HB2   MET   96   3.04 +/- 0.03  99.803% * 99.9773% (0.98  10.0 10.00   5.00 115.58) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.72 +/- 0.62   0.197% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.998% * 99.7402% (1.00  10.0 10.00   5.00 115.58) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.00 +/- 0.78   0.002% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  20.64 +/- 1.25   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  20.18 +/- 0.87   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  29.35 +/- 2.01   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HB2   MET   96   2.62 +/- 0.29  99.998% * 99.6261% (1.00  10.0 10.00   4.44 115.58) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  16.30 +/- 1.56   0.002% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HB2   MET   96   2.76 +/- 0.33  98.850% * 99.7437% (0.61  10.0 10.00   4.44 115.58) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96   6.07 +/- 0.54   1.144% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  18.79 +/- 1.12   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.80 +/- 0.87   0.003% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.90 +/- 1.24   0.001% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HA    MET   96 - HB3   MET   96   2.68 +/- 0.08  99.954% * 99.9773% (0.98  10.0 10.00   5.00 115.58) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.84 +/- 0.65   0.046% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.994% * 99.6213% (1.00  10.0 10.00   5.00 115.58) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   9.38 +/- 0.56   0.005% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.96 +/- 0.77   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  14.01 +/- 0.40   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.83 +/- 0.97   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.98 +/- 0.89   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  17.89 +/- 0.63   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HB3   MET   96   2.89 +/- 0.19  99.994% * 99.6261% (1.00  10.0 10.00   4.44 115.58) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  14.98 +/- 1.64   0.006% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HB3   MET   96   2.77 +/- 0.19  96.582% * 99.7437% (0.61  10.0 10.00   4.44 115.58) =  99.999%  kept
          HB3   TRP   87 - HB3   MET   96   5.09 +/- 0.52   3.412% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB3   MET   96  15.81 +/- 0.86   0.003% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  20.46 +/- 1.15   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.30 +/- 1.36   0.001% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HA    MET   96 - HG2   MET   96   2.78 +/- 0.46  99.946% * 99.6779% (0.98  10.0 10.00   4.44 115.58) = 100.000%  kept
        T HA    MET   96 - HB2   PRO   52  15.21 +/- 1.56   0.006% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HG2   MET   96  10.77 +/- 0.67   0.047% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  18.38 +/- 0.91   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG2   MET   96   2.62 +/- 0.29  99.830% * 99.2205% (1.00  10.0 10.00   4.44 115.58) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.48 +/- 0.81   0.144% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  16.30 +/- 1.56   0.002% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  12.86 +/- 0.90   0.008% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  13.85 +/- 1.21   0.005% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  16.56 +/- 0.42   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.00 +/- 0.91   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  14.90 +/- 1.10   0.004% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  18.96 +/- 0.78   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  17.02 +/- 1.53   0.002% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  21.60 +/- 0.99   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  21.01 +/- 1.24   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  26.42 +/- 1.05   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  29.44 +/- 1.50   0.000% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG2   MET   96   2.89 +/- 0.19  99.155% * 99.3732% (1.00  10.0 10.00   4.44 115.58) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.85 +/- 0.79   0.800% *  0.0073% (0.07   1.0  1.00   0.02   1.73) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.17 +/- 0.95   0.037% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  14.98 +/- 1.64   0.006% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  22.59 +/- 1.27   0.001% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.61 +/- 0.97   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  24.22 +/- 0.99   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  30.89 +/- 2.23   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.10 +/- 1.50   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  39.15 +/- 2.02   0.000% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.6:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  99.927% * 99.2819% (0.61  10.0 10.00   4.00 115.58) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96   6.20 +/- 0.70   0.070% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  16.93 +/- 1.71   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  14.97 +/- 1.26   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  14.47 +/- 2.48   0.002% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  19.65 +/- 1.03   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.94 +/- 1.02   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  19.04 +/- 1.24   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  15.98 +/- 1.89   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  33.02 +/- 1.34   0.000% *  0.0402% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (5.31, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.6:
    * O T HA    MET   96 - HG3   MET   96   2.67 +/- 0.55  99.948% * 99.9773% (0.59  10.0 10.00   4.44 115.58) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.92 +/- 0.66   0.052% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG3   MET   96   2.76 +/- 0.33  99.757% * 99.6213% (0.61  10.0 10.00   4.44 115.58) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   8.47 +/- 0.82   0.221% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.07 +/- 0.67   0.011% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.28 +/- 1.14   0.006% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  16.45 +/- 0.49   0.003% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.09 +/- 0.95   0.001% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  19.14 +/- 0.80   0.001% *  0.0564% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG3   MET   96   2.77 +/- 0.19  99.968% * 99.7402% (0.61  10.0 10.00   4.44 115.58) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.49 +/- 1.10   0.031% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.80 +/- 1.54   0.000% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.30 +/- 1.03   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  31.18 +/- 1.87   0.000% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.6:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.6261% (0.61  10.0 10.00   4.00 115.58) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  16.93 +/- 1.71   0.000% *  0.3739% (0.23   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.7:
    * O T HB2   PHE   97 - HA    PHE   97   3.02 +/- 0.16  99.109% * 99.7149% (1.00  10.0 10.00   2.89  62.72) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   97   7.86 +/- 0.66   0.347% *  0.0724% (0.73   1.0  1.00   0.02   8.77) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.54 +/- 0.55   0.488% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  12.50 +/- 0.87   0.023% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  12.69 +/- 1.60   0.025% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.66 +/- 0.82   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.7:
    * O T HB3   PHE   97 - HA    PHE   97   2.63 +/- 0.13  99.978% * 99.7224% (0.95  10.0 10.00   3.44  62.72) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.33 +/- 0.43   0.017% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  16.37 +/- 0.91   0.002% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.26 +/- 1.52   0.002% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  17.56 +/- 0.89   0.001% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.7:
    * O T HA    PHE   97 - HB2   PHE   97   3.02 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.72) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.7:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 99.7224% (0.95  10.0 10.00   3.31  62.72) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.96 +/- 0.56   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.45 +/- 0.96   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  16.70 +/- 1.82   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  19.61 +/- 0.85   0.000% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.7:
    * O T HA    PHE   97 - HB3   PHE   97   2.63 +/- 0.13 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.72) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.7:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.915% * 99.7149% (0.95  10.0 10.00   3.31  62.72) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.17 +/- 1.01   0.033% *  0.0724% (0.69   1.0  1.00   0.02   8.77) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   6.50 +/- 0.90   0.050% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  13.30 +/- 1.69   0.001% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  14.98 +/- 0.79   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.76 +/- 1.05   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 81.9:
    * O T QB    LEU   98 - HA    LEU   98   2.23 +/- 0.09  99.944% * 99.2568% (0.87  10.0 10.00   4.97  81.94) = 100.000%  kept
          HB    VAL   42 - HA    LEU   98   8.53 +/- 0.51   0.036% *  0.0226% (0.20   1.0  1.00   0.02   0.71) =   0.000%
          HD3   LYS+ 121 - HA    LEU   98  12.51 +/- 4.03   0.006% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  11.92 +/- 0.97   0.005% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  15.44 +/- 1.52   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  14.17 +/- 2.35   0.003% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  17.20 +/- 0.38   0.001% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  17.67 +/- 1.13   0.000% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.17 +/- 0.65   0.002% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.81 +/- 1.02   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  17.38 +/- 1.13   0.001% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.93 +/- 0.49   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.26 +/- 2.29   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  20.38 +/- 0.85   0.000% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.987, support = 4.79, residual support = 80.6:
    *   T QD1   LEU   98 - HA    LEU   98   2.88 +/- 0.44  70.844% * 95.6515% (1.00 10.00   4.83  81.94) =  98.187%  kept
          QD2   LEU  104 - HA    LEU   98   3.81 +/- 1.06  29.138% *  4.2936% (0.31  1.00   2.91   5.96) =   1.813%  kept
          QG2   ILE   19 - HA    LEU   98  13.73 +/- 0.56   0.008% *  0.0359% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  13.54 +/- 0.96   0.009% *  0.0189% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.35, residual support = 81.1:
    *   T QD2   LEU   98 - HA    LEU   98   3.79 +/- 0.33  86.292% * 89.3438% (1.00 10.00   4.39  81.94) =  98.347%  kept
          QG2   VAL   41 - HA    LEU   98   5.64 +/- 0.76  13.317% *  9.7261% (0.95  1.00   2.30  28.82) =   1.652%  kept
        T QD1   LEU   80 - HA    LEU   98  15.60 +/- 1.15   0.022% *  0.8934% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   98   9.77 +/- 0.96   0.369% *  0.0367% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 81.9:
    * O T HA    LEU   98 - QB    LEU   98   2.23 +/- 0.09 100.000% *100.0000% (0.87  10.0 10.00   4.97  81.94) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.85, residual support = 81.9:
    * O T QD1   LEU   98 - QB    LEU   98   2.15 +/- 0.13  98.318% * 99.3996% (0.87  10.0 10.00   3.85  81.94) =  99.999%  kept
          QD2   LEU  104 - QB    LEU   98   5.02 +/- 0.94   1.670% *  0.0307% (0.27   1.0  1.00   0.02   5.96) =   0.001%
        T QG2   ILE   19 - QB    LEU   98  11.14 +/- 0.74   0.006% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  11.09 +/- 1.05   0.007% *  0.1967% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.863, support = 3.38, residual support = 77.1:
    * O T QD2   LEU   98 - QB    LEU   98   2.06 +/- 0.10  90.349% * 51.1151% (0.87  10.0 10.00   3.44  81.94) =  90.835%  kept
        T QG2   VAL   41 - QB    LEU   98   3.47 +/- 0.79   9.636% * 48.3528% (0.82   1.0 10.00   2.76  28.82) =   9.165%  kept
        T QD1   LEU   80 - QB    LEU   98  12.67 +/- 1.03   0.002% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98   9.43 +/- 0.99   0.013% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.83, residual support = 81.9:
    *   T HA    LEU   98 - QD1   LEU   98   2.88 +/- 0.44 100.000% *100.0000% (1.00 10.00   4.83  81.94) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.85, residual support = 81.9:
    * O T QB    LEU   98 - QD1   LEU   98   2.15 +/- 0.13  99.890% * 98.1517% (0.87  10.0 10.00   3.85  81.94) = 100.000%  kept
        T HG    LEU   80 - QD1   LEU   98  12.42 +/- 1.46   0.004% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  12.97 +/- 1.49   0.003% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   98   7.95 +/- 0.78   0.058% *  0.0224% (0.20   1.0  1.00   0.02   0.71) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  12.13 +/- 3.05   0.006% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.19 +/- 1.10   0.023% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  12.57 +/- 1.27   0.003% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.58 +/- 1.01   0.002% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.74 +/- 1.03   0.002% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.04 +/- 0.80   0.004% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  13.39 +/- 1.99   0.003% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  14.74 +/- 1.01   0.001% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.25 +/- 2.15   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  18.16 +/- 1.41   0.000% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 81.9:
    * O T QD2   LEU   98 - QD1   LEU   98   2.06 +/- 0.07  98.149% * 98.8770% (1.00  10.0 10.00   2.83  81.94) =  99.998%  kept
          QG2   VAL   41 - QD1   LEU   98   4.37 +/- 0.67   1.829% *  0.0935% (0.95   1.0  1.00   0.02  28.82) =   0.002%
        T QD1   LEU   80 - QD1   LEU   98  11.32 +/- 1.30   0.005% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   9.23 +/- 1.21   0.017% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 81.9:
    *   T HA    LEU   98 - QD2   LEU   98   3.79 +/- 0.33  99.973% * 99.4301% (1.00 10.00   4.39  81.94) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  15.60 +/- 1.15   0.027% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (1.41, 0.55, 25.87 ppm):
    28 chemical-shift based assignments, quality = 0.715, support = 3.92, residual support = 82.1:
    * O T QB    LEU   98 - QD2   LEU   98   2.06 +/- 0.10  46.201% * 50.3539% (0.87  10.0 10.00   3.44  81.94) =  68.315%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.10 +/- 0.02  40.418% * 16.1964% (0.28  10.0  1.00   4.80  82.34) =  19.223%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.65 +/- 0.35  13.216% * 32.1120% (0.55  10.0 10.00   5.20  82.34) =  12.463%  kept
        T HB2   LEU   80 - QD2   LEU   98  11.41 +/- 1.10   0.002% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80   7.71 +/- 1.39   0.030% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   98   6.49 +/- 0.87   0.067% *  0.0115% (0.20   1.0  1.00   0.02   0.71) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  12.67 +/- 1.03   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   7.31 +/- 1.01   0.031% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.05 +/- 1.28   0.003% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   8.15 +/- 1.03   0.016% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  11.92 +/- 0.68   0.001% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  11.15 +/- 1.11   0.002% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  12.99 +/- 2.61   0.001% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.29 +/- 0.80   0.003% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  11.92 +/- 0.69   0.001% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.29 +/- 1.87   0.002% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.76 +/- 1.11   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.90 +/- 0.90   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.47 +/- 1.58   0.000% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.82 +/- 1.83   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  13.10 +/- 1.14   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  14.63 +/- 1.52   0.000% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  14.60 +/- 1.45   0.000% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  17.98 +/- 1.91   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  17.15 +/- 1.03   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  21.70 +/- 1.60   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  17.84 +/- 1.52   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  19.55 +/- 2.09   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 81.9:
    * O T QD1   LEU   98 - QD2   LEU   98   2.06 +/- 0.07  99.742% * 98.8641% (1.00  10.0 10.00   2.83  81.94) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.26 +/- 0.80   0.190% *  0.3051% (0.31   1.0 10.00   0.02   5.96) =   0.001%
        T QD1   LEU   98 - QD1   LEU   80  11.32 +/- 1.30   0.005% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   8.23 +/- 0.73   0.031% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   9.45 +/- 0.46   0.011% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98   9.66 +/- 0.82   0.012% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  10.01 +/- 0.72   0.009% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  16.03 +/- 1.07   0.001% *  0.1749% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.7:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.19 +/- 0.46  97.305% * 98.7502% (1.00  10.0 10.00   6.44 173.68) =  99.997%  kept
        T HG3   LYS+  38 - HA    LYS+  99   8.29 +/- 1.04   0.464% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    LYS+  99   6.45 +/- 0.53   1.976% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99   9.29 +/- 0.95   0.222% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  16.66 +/- 0.40   0.006% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  15.27 +/- 1.25   0.013% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  17.76 +/- 0.79   0.004% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  18.89 +/- 0.70   0.003% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.70 +/- 2.23   0.006% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.30 +/- 1.94   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.593, support = 5.92, residual support = 173.7:
      O T HB3   LYS+  99 - HA    LYS+  99   2.54 +/- 0.26  84.346% * 28.6795% (0.41  10.0 10.00   5.97 173.68) =  69.099%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.79 +/- 0.70  15.507% * 69.7607% (1.00   1.0 10.00   5.82 173.68) =  30.901%  kept
        T QD    LYS+ 106 - HA    LYS+  99  12.35 +/- 0.46   0.008% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   8.06 +/- 0.87   0.131% *  0.0155% (0.22   1.0  1.00   0.02   1.81) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  17.54 +/- 4.12   0.002% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  12.97 +/- 0.75   0.006% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  18.37 +/- 1.89   0.001% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  21.56 +/- 0.33   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.07 +/- 1.98   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.44 +/- 0.54   0.000% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 173.7:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.70 +/- 0.27  97.349% * 98.5233% (1.00  10.0 10.00   7.07 173.68) =  99.998%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.66 +/- 0.73   0.123% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+  99   6.00 +/- 0.98   2.468% *  0.0219% (0.22   1.0  1.00   0.02  17.77) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  10.52 +/- 0.78   0.038% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.82 +/- 1.19   0.005% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  15.79 +/- 0.69   0.003% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  15.61 +/- 4.20   0.006% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.19 +/- 0.49   0.004% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  19.49 +/- 0.73   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.53 +/- 0.47   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.70 +/- 2.53   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.17 +/- 0.55   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 173.7:
    *   T QE    LYS+  99 - HA    LYS+  99   3.78 +/- 0.35  96.765% * 98.3577% (1.00 10.00   5.41 173.68) =  99.985%  kept
        T QE    LYS+  38 - HA    LYS+  99   9.06 +/- 0.99   0.770% *  0.8821% (0.90 10.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HA    LYS+  99   8.55 +/- 0.71   0.970% *  0.6756% (0.69 10.00   0.02   1.81) =   0.007%
          HB2   PHE   97 - HA    LYS+  99   7.74 +/- 0.38   1.472% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  15.61 +/- 0.63   0.023% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 173.7:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.92 +/- 0.21  93.675% * 99.5483% (1.00  10.0 10.00   7.00 173.68) =  99.998%  kept
          HA    LEU   40 - HB2   LYS+  99   4.78 +/- 0.66   6.252% *  0.0248% (0.25   1.0  1.00   0.02  12.59) =   0.002%
          HA    ASN   35 - HB2   LYS+  99  10.29 +/- 0.76   0.058% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  15.35 +/- 5.03   0.009% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.38 +/- 1.00   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.81 +/- 2.61   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.41 +/- 2.07   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.86 +/- 0.90   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  21.92 +/- 2.00   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  22.11 +/- 1.35   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.7:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.50 +/- 0.22  99.800% * 98.7502% (1.00  10.0 10.00   6.44 173.68) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99   9.98 +/- 1.09   0.053% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   8.09 +/- 0.75   0.128% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  11.78 +/- 1.12   0.014% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  17.26 +/- 0.49   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  17.48 +/- 1.46   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.23 +/- 0.99   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  18.82 +/- 0.85   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.72 +/- 2.20   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.35 +/- 2.05   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.537, support = 4.93, residual support = 173.7:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  89.919% * 29.0322% (0.41  10.0   4.73 173.68) =  78.624%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.65 +/- 0.39  10.050% * 70.6187% (1.00  10.0   5.69 173.68) =  21.376%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.24 +/- 1.13   0.029% *  0.0157% (0.22   1.0   0.02   1.81) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  11.32 +/- 0.54   0.001% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  15.05 +/- 0.87   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  16.11 +/- 4.36   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  18.20 +/- 2.03   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.01 +/- 0.46   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.97 +/- 2.14   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.53 +/- 0.89   0.000% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 173.7:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.93 +/- 0.17  99.125% * 99.3871% (1.00  10.0   7.07 173.68) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   6.92 +/- 0.68   0.775% *  0.0221% (0.22   1.0   0.02  17.77) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.57 +/- 0.82   0.051% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  13.10 +/- 0.78   0.014% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  14.47 +/- 4.40   0.015% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  14.97 +/- 1.25   0.007% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  15.88 +/- 0.83   0.004% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  16.19 +/- 0.63   0.004% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.66 +/- 2.62   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.34 +/- 0.50   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.12 +/- 0.78   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  18.04 +/- 0.59   0.002% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 173.7:
    *     QE    LYS+  99 - HB2   LYS+  99   3.34 +/- 0.55  96.968% * 99.0622% (1.00   5.16 173.68) =  99.993%  kept
          QE    LYS+ 102 - HB2   LYS+  99   7.71 +/- 1.04   1.155% *  0.2637% (0.69   0.02   1.81) =   0.003%
          HB2   PHE   97 - HB2   LYS+  99   7.06 +/- 0.40   1.677% *  0.1578% (0.41   0.02   0.02) =   0.003%
          QE    LYS+  38 - HB2   LYS+  99  10.31 +/- 1.21   0.195% *  0.3442% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  17.76 +/- 0.76   0.006% *  0.1721% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.7:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.19 +/- 0.46  71.350% * 97.9094% (1.00  10.0 10.00   6.44 173.68) =  99.992%  kept
          HA    LEU   40 - HG3   LYS+  99   4.44 +/- 1.14  16.443% *  0.0244% (0.25   1.0  1.00   0.02  12.59) =   0.006%
          HA    ASN   35 - HG3   LYS+  38   4.59 +/- 0.50  11.333% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - HG3   LYS+  38   8.29 +/- 1.04   0.320% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   LYS+  99   9.24 +/- 1.17   0.148% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  16.66 +/- 0.40   0.005% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  15.83 +/- 5.41   0.013% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.19 +/- 0.77   0.348% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  24.30 +/- 2.72   0.001% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  19.90 +/- 2.26   0.005% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  18.00 +/- 1.80   0.003% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  20.06 +/- 0.86   0.002% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.12 +/- 1.20   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.22 +/- 1.32   0.004% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.58 +/- 2.20   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  17.15 +/- 0.44   0.004% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  18.51 +/- 1.38   0.003% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  20.72 +/- 2.32   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  23.86 +/- 1.09   0.001% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  30.18 +/- 2.41   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  22.17 +/- 5.37   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  23.13 +/- 1.57   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  20.70 +/- 1.08   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  16.72 +/- 1.39   0.005% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  17.65 +/- 2.38   0.005% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  23.13 +/- 0.84   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  28.78 +/- 1.72   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  30.59 +/- 1.45   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  25.51 +/- 2.07   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  28.29 +/- 1.37   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 4.68, residual support = 177.4:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.74 +/- 0.54  49.788% * 89.0505% (1.00  10.0 10.00   4.73 173.68) =  91.439%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.70 +/- 0.37  49.792% *  8.3338% (0.09  10.0 10.00   4.16 217.50) =   8.558%  kept
        T QE    LYS+ 102 - HG3   LYS+  99   8.86 +/- 1.43   0.137% *  0.6117% (0.69   1.0 10.00   0.02   1.81) =   0.002%
        T QE    LYS+  38 - HG3   LYS+  99   8.68 +/- 1.32   0.056% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG3   LYS+  38   8.29 +/- 1.18   0.159% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.09 +/- 0.47   0.034% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.57 +/- 1.90   0.010% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  14.60 +/- 1.51   0.002% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  17.41 +/- 0.63   0.001% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  11.26 +/- 0.75   0.012% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  12.31 +/- 0.56   0.006% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  22.37 +/- 1.12   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  18.58 +/- 1.03   0.000% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.87 +/- 0.98   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  19.28 +/- 0.66   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 173.3:
    *   T HA    LYS+  99 - QD    LYS+  99   3.79 +/- 0.70  75.191% * 95.0123% (1.00 10.00   5.82 173.68) =  99.774%  kept
          HA    LEU   40 - QD    LYS+  99   4.63 +/- 0.87  23.701% *  0.6691% (0.25  1.00   0.56  12.59) =   0.221%
        T HA    LEU  123 - QD    LYS+  99  12.98 +/- 4.74   0.165% *  0.8242% (0.87 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - QD    LYS+ 106  12.35 +/- 0.46   0.086% *  0.7650% (0.81 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+  99   9.37 +/- 1.04   0.468% *  0.0917% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    ILE   56 - QD    LYS+ 106  14.48 +/- 2.51   0.045% *  0.7236% (0.76 10.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  15.57 +/- 2.01   0.026% *  0.6636% (0.70 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  11.82 +/- 0.83   0.115% *  0.0639% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  21.16 +/- 2.24   0.004% *  0.8988% (0.95 10.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  13.44 +/- 1.57   0.064% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  13.31 +/- 0.51   0.056% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  18.22 +/- 0.64   0.008% *  0.0738% (0.78  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.85 +/- 1.37   0.005% *  0.0794% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  16.82 +/- 1.52   0.015% *  0.0237% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.51 +/- 1.39   0.020% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  16.84 +/- 1.23   0.015% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  18.73 +/- 2.39   0.007% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.05 +/- 1.11   0.005% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.60 +/- 0.62   0.003% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.89 +/- 1.45   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 173.7:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.34 +/- 0.16  99.471% * 97.4178% (1.00  10.0  1.00   5.86 173.68) =  99.998%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106   9.33 +/- 2.11   0.201% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD    LYS+ 106   7.80 +/- 1.28   0.114% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.77 +/- 1.18   0.049% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.38 +/- 0.67   0.059% *  0.0217% (0.22   1.0  1.00   0.02  17.77) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   9.04 +/- 1.32   0.042% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  11.89 +/- 4.31   0.016% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.72 +/- 2.75   0.001% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  12.99 +/- 1.00   0.004% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.53 +/- 1.00   0.005% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.98 +/- 0.78   0.006% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.48 +/- 0.70   0.008% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.67 +/- 0.52   0.003% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  13.75 +/- 1.13   0.003% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.39 +/- 1.06   0.009% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  16.13 +/- 0.82   0.001% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  15.85 +/- 1.21   0.001% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.37 +/- 0.96   0.001% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.66 +/- 0.91   0.001% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  15.62 +/- 1.53   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  19.79 +/- 0.57   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.86 +/- 0.66   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.71 +/- 0.98   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  17.83 +/- 0.74   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 173.7:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.35 +/- 0.16  99.369% * 94.6730% (1.00  10.0 10.00   5.27 173.68) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   8.12 +/- 1.20   0.120% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  99   6.63 +/- 0.89   0.337% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106   9.25 +/- 0.88   0.034% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  10.19 +/- 1.56   0.032% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.79 +/- 1.92   0.017% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106   8.72 +/- 1.07   0.057% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  13.35 +/- 0.57   0.003% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  10.72 +/- 1.10   0.020% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.50 +/- 0.51   0.001% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.28 +/- 0.96   0.000% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  17.57 +/- 0.63   0.001% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.65 +/- 1.75   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  15.89 +/- 1.44   0.001% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.33 +/- 0.53   0.002% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  19.48 +/- 1.06   0.000% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.29 +/- 2.33   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.95 +/- 0.77   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  18.43 +/- 0.87   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.38 +/- 1.00   0.000% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 173.7:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.719% * 96.3213% (1.00  10.0 10.00   4.41 173.68) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   8.37 +/- 1.46   0.045% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  99   8.40 +/- 1.36   0.040% *  0.6616% (0.69   1.0 10.00   0.02   1.81) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   9.97 +/- 0.88   0.010% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.45 +/- 0.59   0.142% *  0.0319% (0.33   1.0  1.00   0.02   8.77) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.91 +/- 0.86   0.003% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.85 +/- 0.59   0.040% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  18.68 +/- 1.04   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.27 +/- 0.68   0.000% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.33 +/- 0.83   0.000% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.979, support = 5.31, residual support = 169.1:
    *   T HA    LYS+  99 - QE    LYS+  99   3.78 +/- 0.35  41.906% * 95.9289% (1.00 10.00   5.41 173.68) =  97.164%  kept
          HA    LEU   40 - QE    LYS+  99   3.71 +/- 0.54  50.072% *  2.3325% (0.25  1.00   1.95  12.59) =   2.823%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.55 +/- 0.71   0.391% *  0.6542% (0.68 10.00   0.02   1.81) =   0.006%
          HA    ASN   35 - QE    LYS+  38   5.58 +/- 0.61   6.506% *  0.0250% (0.26  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  99 - QE    LYS+  38   9.06 +/- 0.99   0.278% *  0.2588% (0.27 10.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QE    LYS+  99   9.20 +/- 0.96   0.211% *  0.0926% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  99  11.94 +/- 4.91   0.153% *  0.0832% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  12.29 +/- 1.53   0.055% *  0.0631% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.62 +/- 0.83   0.107% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   9.11 +/- 0.70   0.252% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  15.66 +/- 1.60   0.011% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  20.15 +/- 2.20   0.002% *  0.0907% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  14.01 +/- 1.22   0.017% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  19.52 +/- 3.52   0.004% *  0.0567% (0.59  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  19.32 +/- 1.28   0.003% *  0.0801% (0.84  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  17.46 +/- 1.94   0.005% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  21.69 +/- 0.87   0.001% *  0.0546% (0.57  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  21.04 +/- 4.67   0.002% *  0.0224% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.74 +/- 0.99   0.003% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  24.11 +/- 2.07   0.001% *  0.0619% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  16.51 +/- 2.37   0.009% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  16.29 +/- 1.52   0.008% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.42 +/- 1.76   0.002% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.13 +/- 1.06   0.001% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  28.69 +/- 1.87   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.85 +/- 1.13   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.46 +/- 2.29   0.001% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  28.80 +/- 1.32   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  24.46 +/- 1.54   0.001% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  26.95 +/- 1.02   0.000% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.511, support = 4.56, residual support = 173.7:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  75.767% * 59.3751% (0.41  10.0 10.00   4.41 173.68) =  82.961%  kept
          HB3   LYS+  99 - QE    LYS+  99   2.83 +/- 0.69  24.118% * 38.3100% (1.00   1.0  1.00   5.31 173.68) =  17.039%  kept
        T QD    LYS+  99 - QE    LYS+ 102   8.40 +/- 1.36   0.029% *  0.4049% (0.28   1.0 10.00   0.02   1.81) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.37 +/- 1.46   0.035% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.44 +/- 1.20   0.030% *  0.0985% (0.68   1.0  1.00   0.02   1.81) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.97 +/- 0.88   0.008% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.91 +/- 0.86   0.002% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38  10.26 +/- 1.24   0.007% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  16.20 +/- 1.61   0.000% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  16.41 +/- 1.79   0.000% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.64 +/- 0.87   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  18.68 +/- 1.04   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  18.73 +/- 0.80   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  19.50 +/- 1.69   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.84 +/- 1.13   0.000% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.11 +/- 0.78   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  23.77 +/- 1.39   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  23.55 +/- 1.00   0.000% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.918, support = 4.67, residual support = 177.7:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.74 +/- 0.54  49.407% * 88.1476% (1.00  10.0 10.00   4.73 173.68) =  90.880%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.70 +/- 0.37  48.940% *  8.9252% (0.10  10.0 10.00   4.16 217.50) =   9.115%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   8.86 +/- 1.43   0.135% *  0.6011% (0.68   1.0 10.00   0.02   1.81) =   0.002%
          QG2   THR   39 - QE    LYS+  99   5.49 +/- 0.88   1.157% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QE    LYS+  99   8.29 +/- 1.18   0.157% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+  38   8.68 +/- 1.32   0.055% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  99   9.50 +/- 0.81   0.028% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.57 +/- 1.90   0.010% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.94 +/- 0.37   0.081% *  0.0154% (0.17   1.0  1.00   0.02  22.48) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  14.60 +/- 1.51   0.002% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  17.41 +/- 0.63   0.001% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  11.61 +/- 1.01   0.010% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.64 +/- 0.96   0.006% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  14.56 +/- 1.34   0.003% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  15.76 +/- 1.18   0.001% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.17 +/- 1.06   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  16.50 +/- 1.25   0.001% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  18.18 +/- 0.81   0.001% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  15.87 +/- 1.82   0.002% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  17.17 +/- 1.15   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  22.37 +/- 1.12   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.68 +/- 1.40   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.77 +/- 1.03   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  20.89 +/- 2.13   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.70 +/- 1.77   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.28 +/- 1.63   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.35 +/- 0.88   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  23.82 +/- 1.04   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  22.65 +/- 1.76   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.62 +/- 1.98   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.96 +/- 0.16  98.108% * 99.1823% (1.00  10.0 10.00   4.26  75.85) =  99.999%  kept
        T HB2   GLU- 100 - HA    LYS+  38   6.27 +/- 0.89   1.636% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLU- 100  10.70 +/- 0.42   0.047% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  10.39 +/- 0.81   0.062% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.11 +/- 0.59   0.129% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  26.45 +/- 1.57   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  12.83 +/- 0.76   0.016% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  22.24 +/- 0.80   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.34 +/- 1.01   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.80 +/- 1.30   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.50 +/- 0.95   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  27.11 +/- 1.07   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.48 +/- 0.22  97.790% * 99.2716% (1.00  10.0 10.00   4.26  75.85) =  99.999%  kept
        T HB3   GLU- 100 - HA    LYS+  38   5.32 +/- 0.97   2.167% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLU- 100  12.65 +/- 0.90   0.007% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  14.94 +/- 0.90   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.58 +/- 0.34   0.011% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  17.28 +/- 1.45   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  14.97 +/- 1.33   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.59 +/- 0.51   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  21.72 +/- 2.79   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  13.64 +/- 0.46   0.004% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  12.06 +/- 1.54   0.011% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  22.42 +/- 0.43   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  15.38 +/- 1.37   0.002% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  21.42 +/- 1.16   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.95 +/- 2.14   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.84 +/- 1.82   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  22.93 +/- 2.65   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.53 +/- 0.76   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.30 +/- 1.31   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.01 +/- 0.50   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  32.67 +/- 2.09   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.42 +/- 2.13   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 75.8:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.97 +/- 0.25  85.493% * 99.4988% (1.00  10.0 10.00   4.73  75.85) =  99.990%  kept
        T HG2   GLU- 100 - HA    LYS+  38   4.36 +/- 0.78  14.415% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.010%
          HB2   MET   96 - HA    GLU- 100  12.65 +/- 0.44   0.016% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.50 +/- 0.92   0.018% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.44 +/- 0.59   0.005% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  16.40 +/- 0.76   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.65 +/- 0.68   0.028% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.23 +/- 1.29   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  24.34 +/- 0.71   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.99 +/- 0.32   0.005% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  23.87 +/- 1.10   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.51 +/- 0.67   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  15.05 +/- 0.32   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  18.08 +/- 0.80   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.03 +/- 1.21   0.004% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  24.72 +/- 0.87   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.90 +/- 0.34   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  25.60 +/- 1.25   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.96 +/- 0.16  98.359% * 98.6741% (1.00  10.0 10.00   4.26  75.85) =  99.996%  kept
        T HA    LYS+  38 - HB2   GLU- 100   6.27 +/- 0.89   1.640% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   PRO   58 - HB2   GLU- 100  28.64 +/- 1.69   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  21.57 +/- 1.07   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   GLU- 100  28.65 +/- 0.94   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.8:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.85) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.00 +/- 0.71   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  17.28 +/- 0.71   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  17.76 +/- 1.42   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.34 +/- 1.56   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.87 +/- 3.11   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  21.18 +/- 0.98   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  23.54 +/- 0.54   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  23.17 +/- 1.24   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.14 +/- 2.59   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.95 +/- 1.94   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 75.8:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.99 +/- 0.06  99.967% * 99.5837% (1.00  10.0 10.00   3.25  75.85) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.98 +/- 0.47   0.010% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  15.29 +/- 0.99   0.006% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  13.52 +/- 0.92   0.013% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.90 +/- 0.72   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.81 +/- 1.20   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  26.39 +/- 0.57   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  25.28 +/- 1.21   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.97 +/- 0.70   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.33 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.8:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.48 +/- 0.22  97.832% * 99.5406% (1.00  10.0 10.00   4.26  75.85) =  99.995%  kept
        T HA    LYS+  38 - HB3   GLU- 100   5.32 +/- 0.97   2.168% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   83 - HB3   GLU- 100  21.65 +/- 0.92   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  29.12 +/- 1.45   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB3   GLU- 100  29.03 +/- 0.74   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.8:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.997% * 99.6840% (1.00  10.0 10.00   2.00  75.85) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.85 +/- 0.65   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.69 +/- 1.13   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.16 +/- 1.15   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  24.09 +/- 0.86   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  27.59 +/- 1.60   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 75.8:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.43 +/- 0.16  99.990% * 99.0882% (1.00  10.0 10.00   3.25  75.85) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  13.60 +/- 1.10   0.005% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.43 +/- 0.35   0.002% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  19.49 +/- 1.52   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  16.23 +/- 0.52   0.001% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  18.26 +/- 0.95   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  26.37 +/- 0.90   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  25.67 +/- 1.21   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.44 +/- 0.86   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.8:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.97 +/- 0.25  85.570% * 99.5406% (1.00  10.0 10.00   4.73  75.85) =  99.962%  kept
        T HA    LYS+  38 - HG2   GLU- 100   4.36 +/- 0.78  14.429% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.038%
          HA    VAL   83 - HG2   GLU- 100  22.04 +/- 1.08   0.001% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  28.02 +/- 1.61   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HG2   GLU- 100  28.31 +/- 1.26   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 75.8:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.99 +/- 0.06  99.925% * 99.6840% (1.00  10.0 10.00   3.25  75.85) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.23 +/- 0.73   0.040% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  11.71 +/- 1.11   0.034% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.32 +/- 1.28   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.84 +/- 1.12   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  26.36 +/- 1.72   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 75.8:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.43 +/- 0.16  99.987% * 98.4783% (1.00  10.0 10.00   3.25  75.85) = 100.000%  kept
        T HB3   PRO   68 - HG2   GLU- 100  15.90 +/- 1.43   0.002% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  14.40 +/- 1.84   0.004% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  13.83 +/- 1.24   0.004% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  16.03 +/- 1.26   0.002% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  21.40 +/- 1.95   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  21.50 +/- 3.08   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.96 +/- 0.75   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  23.48 +/- 1.08   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  32.52 +/- 2.35   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  26.59 +/- 2.08   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00 100.000% * 99.9625% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  19.47 +/- 1.49   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  99.997% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  11.05 +/- 1.42   0.002% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  13.44 +/- 2.35   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.04 +/- 2.25   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.48 +/- 1.80   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.35 +/- 1.30   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  22.10 +/- 4.97   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  30.05 +/- 1.55   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 158.8:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.34 +/- 0.07  98.106% * 99.0531% (1.00  10.0 10.00   6.31 158.76) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.63 +/- 0.34   1.831% *  0.0338% (0.34   1.0  1.00   0.02  22.39) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   8.30 +/- 0.84   0.059% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  13.44 +/- 0.74   0.003% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  17.91 +/- 0.99   0.001% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.53 +/- 0.64   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  21.50 +/- 0.85   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.94 +/- 0.93   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  21.59 +/- 2.59   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.44 +/- 1.17   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 158.8:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.35 +/- 0.32  99.760% * 99.3298% (1.00  10.0 10.00   5.75 158.76) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102  10.09 +/- 0.99   0.185% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  14.74 +/- 0.93   0.017% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  18.53 +/- 2.38   0.006% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  18.87 +/- 1.69   0.004% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  18.70 +/- 2.37   0.005% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  20.47 +/- 1.53   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.00 +/- 1.88   0.008% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.90 +/- 0.47   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  19.66 +/- 1.42   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.36 +/- 1.49   0.004% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.58 +/- 1.01   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.36 +/- 1.05   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 5.03, residual support = 157.8:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.21 +/- 0.68  75.828% * 94.7654% (1.00  10.0 10.00   5.05 158.76) =  99.395%  kept
          QB    LEU   98 - HA    LYS+ 102   4.29 +/- 0.60  21.328% *  2.0397% (0.34   1.0  1.00   1.26   2.57) =   0.602%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.55 +/- 0.41   0.168% *  0.8964% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+ 102   6.23 +/- 0.77   2.624% *  0.0263% (0.28   1.0  1.00   0.02   2.57) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  16.61 +/- 0.90   0.005% *  0.8964% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  13.14 +/- 0.53   0.025% *  0.0929% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  15.60 +/- 1.05   0.007% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  25.15 +/- 0.88   0.000% *  0.9289% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  16.07 +/- 0.70   0.007% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  18.85 +/- 3.21   0.003% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.33 +/- 1.46   0.001% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  21.26 +/- 0.45   0.001% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  23.68 +/- 2.54   0.001% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.14 +/- 0.57   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.8:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.67 +/- 0.67  99.478% * 98.2489% (1.00 10.00   5.05 158.76) = 100.000%  kept
          QD    LYS+  99 - HA    LYS+ 102   7.87 +/- 0.64   0.378% *  0.0219% (0.22  1.00   0.02   1.81) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  11.07 +/- 1.12   0.066% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102  10.28 +/- 0.53   0.060% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  15.52 +/- 3.84   0.008% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.35 +/- 1.76   0.000% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.54 +/- 0.72   0.000% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  16.05 +/- 0.87   0.004% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  18.47 +/- 1.09   0.002% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  20.61 +/- 3.16   0.001% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.36 +/- 0.87   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.78 +/- 0.34   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.8:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.00 +/- 0.48  99.751% * 98.4155% (1.00 10.00   5.05 158.76) =  99.998%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.86 +/- 0.57   0.219% *  0.6760% (0.69 10.00   0.02   1.81) =   0.002%
        T QE    LYS+  38 - HA    LYS+ 102  12.21 +/- 1.33   0.030% *  0.9085% (0.92 10.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 158.8:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.34 +/- 0.07  99.934% * 99.1785% (1.00  10.0 10.00   6.31 158.76) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.30 +/- 0.84   0.060% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  13.96 +/- 0.83   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.63 +/- 0.84   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  14.42 +/- 0.82   0.002% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.36 +/- 0.73   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.11 +/- 0.64   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  21.03 +/- 0.54   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HB    VAL   41  21.49 +/- 0.55   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QB    LYS+ 102  24.62 +/- 0.33   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.71 +/- 0.55   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.65 +/- 0.87   0.000% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 158.8:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.32 +/- 0.13  99.108% * 96.6607% (1.00  10.0 10.00   5.31 158.76) = 100.000%  kept
          HG    LEU   40 - HB    VAL   41   5.94 +/- 0.66   0.558% *  0.0348% (0.36   1.0  1.00   0.02  19.75) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41   9.99 +/- 1.17   0.024% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB    VAL   41   6.76 +/- 0.83   0.220% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   8.92 +/- 1.15   0.048% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  12.58 +/- 1.85   0.006% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  16.46 +/- 1.69   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  16.46 +/- 2.34   0.001% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.04 +/- 1.44   0.002% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  14.38 +/- 0.84   0.002% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  12.59 +/- 1.94   0.006% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  11.25 +/- 1.77   0.012% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  16.68 +/- 2.35   0.001% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  14.53 +/- 1.95   0.002% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  14.27 +/- 1.31   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.49 +/- 1.47   0.000% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  15.86 +/- 0.81   0.001% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.79 +/- 1.66   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.93 +/- 0.71   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.91 +/- 1.10   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.17 +/- 1.69   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  19.33 +/- 1.17   0.000% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.38 +/- 1.77   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.14 +/- 1.11   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.60 +/- 1.04   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.55 +/- 1.34   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.89, support = 4.59, residual support = 141.9:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.36 +/- 0.18  44.649% * 81.1240% (1.00  10.0 10.00   4.75 158.76) =  87.054%  kept
        T QB    LEU   98 - HB    VAL   41   2.68 +/- 0.92  43.302% * 12.4339% (0.15   1.0 10.00   3.54  28.82) =  12.940%  kept
          HG    LEU   98 - HB    VAL   41   3.78 +/- 0.96  11.052% *  0.0101% (0.12   1.0  1.00   0.02  28.82) =   0.003%
        T HB    VAL   42 - HB    VAL   41   6.03 +/- 0.27   0.198% *  0.3573% (0.44   1.0 10.00   0.02  22.12) =   0.002%
          QB    LEU   98 - QB    LYS+ 102   5.11 +/- 0.47   0.551% *  0.0277% (0.34   1.0  1.00   0.02   2.57) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   8.97 +/- 0.57   0.017% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.84 +/- 0.67   0.012% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   7.93 +/- 1.06   0.096% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  10.37 +/- 1.07   0.007% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   6.93 +/- 0.69   0.101% *  0.0226% (0.28   1.0  1.00   0.02   2.57) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.34 +/- 0.85   0.002% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  10.71 +/- 0.68   0.005% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.60 +/- 1.37   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  15.23 +/- 1.08   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  19.06 +/- 0.90   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.66 +/- 1.37   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  22.53 +/- 1.03   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  13.43 +/- 0.57   0.001% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.42 +/- 1.90   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  15.74 +/- 0.70   0.001% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  15.80 +/- 3.29   0.001% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  13.71 +/- 0.77   0.002% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.96 +/- 2.40   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  21.47 +/- 2.47   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  17.01 +/- 0.55   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.88 +/- 0.60   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.80 +/- 3.15   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  20.11 +/- 0.56   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 158.8:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.34 +/- 0.29  98.606% * 94.6216% (1.00  10.0 10.00   4.75 158.76) =  99.999%  kept
        T QD    LYS+  38 - QB    LYS+ 102   9.52 +/- 1.48   0.034% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QB    LYS+ 102   6.02 +/- 1.52   1.084% *  0.0211% (0.22   1.0  1.00   0.02   1.81) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41   9.69 +/- 1.09   0.039% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.50 +/- 0.76   0.016% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   8.38 +/- 0.94   0.081% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.07 +/- 0.84   0.087% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.52 +/- 0.60   0.029% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  13.20 +/- 3.61   0.005% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  20.72 +/- 0.87   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.01 +/- 1.76   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  19.21 +/- 3.05   0.001% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  18.58 +/- 0.47   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  18.13 +/- 0.90   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  21.01 +/- 0.83   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  17.50 +/- 3.24   0.001% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.69 +/- 0.59   0.008% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  14.35 +/- 1.01   0.003% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  15.66 +/- 0.82   0.001% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  15.22 +/- 3.51   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.90 +/- 1.59   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  18.36 +/- 0.93   0.001% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  17.91 +/- 0.58   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.56 +/- 0.47   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 158.8:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.58 +/- 0.37  99.029% * 97.2926% (1.00 10.00   4.75 158.76) =  99.994%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.15 +/- 1.44   0.636% *  0.6683% (0.69 10.00   0.02   1.81) =   0.004%
        T QE    LYS+  38 - QB    LYS+ 102  10.67 +/- 1.62   0.086% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   7.65 +/- 0.58   0.184% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41  10.10 +/- 0.97   0.046% *  0.4372% (0.45 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.59 +/- 0.69   0.020% *  0.4036% (0.41 10.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 158.8:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.35 +/- 0.32  99.996% * 99.7392% (1.00  10.0 10.00   5.75 158.76) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  23.31 +/- 1.05   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.57 +/- 1.84   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.90 +/- 1.14   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HG2   LYS+ 102  28.28 +/- 1.57   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  32.80 +/- 1.40   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 158.8:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.32 +/- 0.13  99.687% * 98.4503% (1.00  10.0 10.00   5.31 158.76) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102   9.99 +/- 1.17   0.024% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   7.10 +/- 1.06   0.286% *  0.0336% (0.34   1.0  1.00   0.02  22.39) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  18.17 +/- 1.50   0.001% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  14.58 +/- 1.42   0.002% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.06 +/- 1.42   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.08 +/- 1.84   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  21.62 +/- 3.49   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  25.86 +/- 1.47   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.19 +/- 2.29   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.8:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.914% * 96.7067% (1.00  10.0 10.00   4.41 158.76) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  10.94 +/- 1.95   0.004% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.15 +/- 0.80   0.072% *  0.0330% (0.34   1.0  1.00   0.02   2.57) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.50 +/- 0.77   0.009% *  0.0269% (0.28   1.0  1.00   0.02   2.57) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.42 +/- 1.86   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.38 +/- 1.31   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  17.46 +/- 1.05   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.90 +/- 1.78   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.03 +/- 1.06   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  18.30 +/- 3.99   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  24.05 +/- 2.92   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.30 +/- 1.89   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  23.01 +/- 1.60   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  22.96 +/- 0.95   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.8:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.19 +/- 0.01  99.792% * 98.2489% (1.00  10.0 10.00   4.41 158.76) = 100.000%  kept
          QD    LYS+  99 - HG2   LYS+ 102   7.31 +/- 1.68   0.175% *  0.0219% (0.22   1.0  1.00   0.02   1.81) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 102  10.43 +/- 2.19   0.019% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.46 +/- 1.95   0.011% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  15.75 +/- 4.60   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.47 +/- 2.26   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  24.13 +/- 1.38   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  20.45 +/- 4.00   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  17.87 +/- 1.22   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  20.84 +/- 1.28   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  23.99 +/- 2.04   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.73 +/- 1.52   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.8:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.27 +/- 0.08  99.291% * 98.4155% (1.00  10.0 10.00   4.41 158.76) =  99.995%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.58 +/- 1.60   0.572% *  0.6760% (0.69   1.0 10.00   0.02   1.81) =   0.004%
        T QE    LYS+  38 - HG2   LYS+ 102  11.61 +/- 2.40   0.137% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.8:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.21 +/- 0.68  99.487% * 97.9004% (1.00  10.0 10.00   5.05 158.76) =  99.999%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.55 +/- 0.41   0.272% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  16.61 +/- 0.90   0.008% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  12.53 +/- 1.38   0.059% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  15.12 +/- 2.46   0.040% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  25.15 +/- 0.88   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.89 +/- 0.32   0.063% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  19.06 +/- 2.25   0.007% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.61 +/- 1.13   0.036% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HG3   LYS+  65  18.02 +/- 1.58   0.007% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  21.70 +/- 1.47   0.002% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.68 +/- 1.89   0.002% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.71 +/- 1.44   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  23.63 +/- 1.28   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.59 +/- 0.67   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HG3   LYS+ 106  19.18 +/- 0.79   0.004% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  24.27 +/- 0.82   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HG3   LYS+ 102  28.53 +/- 1.05   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HG3   LYS+  33  25.88 +/- 1.19   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.90 +/- 0.67   0.003% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.01 +/- 0.74   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.13 +/- 1.92   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  33.03 +/- 1.04   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.16 +/- 0.83   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.896, support = 5.17, residual support = 161.9:
      O   QB    LYS+  65 - HG3   LYS+  65   2.25 +/- 0.11  56.641% * 43.4551% (0.80  10.0  1.00   5.57 164.95) =  51.319%  kept
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.36 +/- 0.18  42.859% * 54.4770% (1.00  10.0 10.00   4.75 158.76) =  48.681%  kept
          HB2   LEU   71 - HG3   LYS+  33   6.38 +/- 0.50   0.126% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  65   6.59 +/- 0.25   0.089% *  0.0305% (0.56   1.0  1.00   0.02  25.50) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  10.37 +/- 1.07   0.007% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.97 +/- 0.57   0.015% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.22 +/- 0.76   0.068% *  0.0186% (0.34   1.0  1.00   0.02  22.39) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.84 +/- 0.67   0.009% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.12 +/- 0.52   0.153% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65  10.14 +/- 2.41   0.016% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  10.71 +/- 0.68   0.005% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.60 +/- 1.37   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.05 +/- 1.27   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  19.06 +/- 0.90   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  22.53 +/- 1.03   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  13.75 +/- 1.85   0.002% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  15.69 +/- 0.90   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  15.91 +/- 1.89   0.001% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.07 +/- 0.95   0.002% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.33 +/- 1.71   0.002% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.11 +/- 1.38   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  14.64 +/- 0.79   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  18.64 +/- 1.27   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  17.63 +/- 0.82   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  14.51 +/- 1.24   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.44 +/- 0.84   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.53 +/- 1.13   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.48 +/- 0.73   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.35 +/- 1.47   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  24.32 +/- 1.07   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  22.66 +/- 1.38   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.11 +/- 1.65   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.04 +/- 3.28   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.28 +/- 1.95   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  26.37 +/- 1.33   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.88 +/- 1.39   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  23.20 +/- 0.83   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.54 +/- 3.16   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.39 +/- 1.81   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.32 +/- 1.30   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.8:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  93.028% * 96.9231% (1.00  10.0 10.00   4.41 158.76) =  99.997%  kept
          QB    ALA   61 - HG3   LYS+  65   3.39 +/- 1.11   6.867% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - HG3   LYS+  65   6.53 +/- 0.91   0.048% *  0.0684% (0.71   1.0  1.00   0.02  25.50) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  10.94 +/- 1.95   0.004% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   8.49 +/- 1.02   0.011% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   8.64 +/- 0.98   0.009% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.32 +/- 1.27   0.008% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.26 +/- 1.22   0.002% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.37 +/- 0.85   0.010% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.42 +/- 1.86   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  11.67 +/- 1.43   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.04 +/- 2.03   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.86 +/- 0.85   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  13.42 +/- 2.14   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  13.36 +/- 1.11   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.82 +/- 1.64   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  13.21 +/- 2.20   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  16.79 +/- 1.20   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  16.42 +/- 1.37   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.98 +/- 1.19   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.22 +/- 1.13   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  14.07 +/- 2.28   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.90 +/- 1.78   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  12.02 +/- 1.07   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  15.53 +/- 2.17   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.57 +/- 1.12   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  19.54 +/- 1.94   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  11.78 +/- 1.49   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  17.41 +/- 1.22   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  19.59 +/- 2.52   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  19.80 +/- 2.62   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  15.20 +/- 1.65   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.34 +/- 2.48   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.00 +/- 1.08   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  16.61 +/- 2.73   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.56 +/- 0.98   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.93 +/- 1.98   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  17.07 +/- 1.66   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.74 +/- 2.13   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  16.04 +/- 0.55   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  22.18 +/- 0.94   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.96 +/- 1.31   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.09 +/- 1.99   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  22.07 +/- 1.47   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  22.89 +/- 2.12   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.69 +/- 1.43   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  17.91 +/- 0.97   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.44 +/- 1.12   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  21.65 +/- 1.90   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  18.93 +/- 1.57   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.31 +/- 1.03   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  24.83 +/- 1.42   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.38, 1.38, 25.01 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 102 - HG3   LYS+ 102  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.80)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.47)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.17)  kept
 
    Peak 1236 (1.68, 1.38, 25.01 ppm):
    48 chemical-shift based assignments, quality = 0.794, support = 4.11, residual support = 160.0:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.50 +/- 0.05  31.158% * 63.6907% (1.00  10.0 10.00   4.00 158.76) =  64.246%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.47 +/- 0.14  34.240% * 29.3443% (0.46  10.0 10.00   4.29 164.95) =  32.528%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.48 +/- 0.16  34.435% *  2.8935% (0.05  10.0  1.00   4.63 136.19) =   3.226%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   9.59 +/- 1.50   0.020% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  10.17 +/- 1.08   0.009% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   7.74 +/- 1.67   0.081% *  0.0142% (0.22   1.0  1.00   0.02   1.81) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  10.76 +/- 2.13   0.011% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  13.95 +/- 1.92   0.003% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.30 +/- 0.90   0.007% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.69 +/- 1.15   0.000% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  16.45 +/- 1.48   0.000% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.67 +/- 3.19   0.015% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  11.55 +/- 1.56   0.005% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  18.21 +/- 1.05   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  14.70 +/- 1.60   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  18.45 +/- 1.44   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.01 +/- 0.93   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  21.86 +/- 2.05   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  15.95 +/- 1.87   0.001% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  16.13 +/- 4.36   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  24.18 +/- 1.42   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  24.64 +/- 2.10   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  12.77 +/- 1.10   0.002% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.12 +/- 1.17   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.61 +/- 1.05   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.45 +/- 1.32   0.000% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.06 +/- 0.60   0.004% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.61 +/- 0.75   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  20.89 +/- 3.83   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  18.75 +/- 2.17   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  15.80 +/- 2.38   0.001% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.45 +/- 0.44   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  18.36 +/- 1.49   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  20.91 +/- 1.25   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.37 +/- 0.93   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  18.11 +/- 1.19   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  22.39 +/- 1.13   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.25 +/- 1.46   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  17.07 +/- 0.92   0.000% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.16 +/- 1.16   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  30.85 +/- 1.48   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.93 +/- 1.06   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.42 +/- 3.43   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.46 +/- 3.09   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  25.09 +/- 1.95   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  24.55 +/- 1.00   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  20.01 +/- 0.66   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  23.83 +/- 0.94   0.000% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 158.8:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.17 +/- 0.09  99.925% * 94.7812% (1.00  10.0 10.00   4.00 158.76) = 100.000%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.09 +/- 1.53   0.030% *  0.6511% (0.69   1.0 10.00   0.02   1.81) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  11.93 +/- 2.38   0.009% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  10.54 +/- 1.29   0.010% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.83 +/- 0.75   0.013% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  11.81 +/- 1.12   0.005% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.20 +/- 0.85   0.006% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  16.58 +/- 1.12   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  17.09 +/- 1.31   0.000% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  23.74 +/- 1.14   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  18.78 +/- 1.08   0.000% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  24.65 +/- 0.88   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.8:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.67 +/- 0.67  97.457% * 99.0980% (1.00 10.00   5.05 158.76) = 100.000%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.07 +/- 0.83   2.519% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.35 +/- 1.76   0.000% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.54 +/- 0.72   0.000% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HD2   LYS+ 111  15.83 +/- 1.22   0.005% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.75 +/- 1.63   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  21.27 +/- 1.05   0.001% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  18.01 +/- 2.48   0.002% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  14.51 +/- 2.58   0.008% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QD    LYS+  65  17.52 +/- 1.22   0.002% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.08 +/- 1.53   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.66 +/- 1.53   0.001% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.85 +/- 1.10   0.001% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QD    LYS+ 102  25.24 +/- 1.53   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.94 +/- 1.13   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  29.22 +/- 1.52   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.32 +/- 1.08   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.17 +/- 1.11   0.000% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.772, support = 4.84, residual support = 160.6:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.34 +/- 0.29  36.037% * 77.3438% (1.00  10.0 10.00   4.75 158.76) =  69.651%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.08 +/- 0.11  63.378% * 19.1619% (0.25  10.0 10.00   5.05 164.95) =  30.348%  kept
          HG12  ILE  103 - QD    LYS+ 102   5.97 +/- 0.99   0.305% *  0.0264% (0.34   1.0  1.00   0.02  22.39) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102   9.69 +/- 1.09   0.010% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.83 +/- 1.56   0.013% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   9.03 +/- 3.05   0.161% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.38 +/- 0.37   0.084% *  0.0134% (0.17   1.0  1.00   0.02  25.50) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  12.20 +/- 2.05   0.002% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  15.76 +/- 0.94   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.13 +/- 1.00   0.001% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  20.66 +/- 1.71   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.69 +/- 1.07   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.15 +/- 1.42   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  10.72 +/- 1.94   0.007% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.01 +/- 1.76   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  18.13 +/- 0.90   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  21.01 +/- 0.83   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.30 +/- 1.20   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  20.16 +/- 2.69   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  14.91 +/- 1.21   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.44 +/- 1.53   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.90 +/- 1.59   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.12 +/- 2.12   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.27 +/- 1.13   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.72 +/- 1.77   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.90 +/- 1.62   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.49 +/- 1.15   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  24.98 +/- 2.02   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  19.39 +/- 1.42   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.30 +/- 1.42   0.000% *  0.0098% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.8:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.19 +/- 0.01  93.528% * 98.4875% (1.00  10.0 10.00   4.41 158.76) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  65   4.22 +/- 0.68   3.178% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 111   5.69 +/- 1.34   2.787% *  0.0079% (0.08   1.0  1.00   0.02   9.12) =   0.000%
          QG    LYS+  66 - QD    LYS+  65   6.06 +/- 0.93   0.316% *  0.0216% (0.22   1.0  1.00   0.02  25.50) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.45 +/- 1.22   0.044% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.34 +/- 1.21   0.050% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  10.83 +/- 1.18   0.009% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.88 +/- 1.25   0.032% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.29 +/- 1.49   0.031% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  15.37 +/- 1.08   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.90 +/- 1.05   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  18.09 +/- 1.86   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  13.28 +/- 2.56   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  18.30 +/- 2.20   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  18.51 +/- 2.37   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.07 +/- 0.94   0.004% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  12.28 +/- 1.30   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.72 +/- 2.07   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  15.80 +/- 1.61   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  15.18 +/- 1.03   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.53 +/- 1.82   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.02 +/- 1.19   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.47 +/- 2.26   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.13 +/- 1.38   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.84 +/- 1.13   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  18.13 +/- 2.13   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.49 +/- 1.35   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  20.13 +/- 0.99   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.07 +/- 1.43   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  19.43 +/- 1.90   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.41 +/- 1.33   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.28 +/- 1.30   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.91 +/- 1.95   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.84 +/- 1.63   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  23.31 +/- 3.02   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  23.31 +/- 2.48   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  21.77 +/- 1.93   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.18 +/- 1.23   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.63 +/- 2.04   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.842, support = 4.06, residual support = 160.1:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.50 +/- 0.05  47.829% * 76.0877% (1.00  10.0 10.00   4.00 158.76) =  78.993%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.47 +/- 0.14  51.337% * 18.8507% (0.25  10.0 10.00   4.29 164.95) =  21.006%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.59 +/- 1.50   0.029% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   5.97 +/- 0.93   0.431% *  0.0260% (0.34   1.0  1.00   0.02   2.57) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.36 +/- 0.97   0.273% *  0.0197% (0.26   1.0  1.00   0.02  27.98) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.87 +/- 1.05   0.068% *  0.0212% (0.28   1.0  1.00   0.02   2.57) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  13.95 +/- 1.92   0.004% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.13 +/- 0.82   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.69 +/- 1.15   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  12.24 +/- 1.57   0.005% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.83 +/- 1.00   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  18.45 +/- 1.44   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.92 +/- 0.89   0.003% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  24.18 +/- 1.42   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.61 +/- 0.75   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.63 +/- 1.36   0.001% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  21.86 +/- 2.05   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  15.59 +/- 1.63   0.001% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.44 +/- 2.21   0.005% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  22.79 +/- 1.25   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  16.73 +/- 1.71   0.001% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  24.64 +/- 2.10   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  16.09 +/- 2.18   0.001% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.29 +/- 3.22   0.001% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.61 +/- 1.05   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.59 +/- 1.07   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  14.32 +/- 1.97   0.002% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  22.59 +/- 2.35   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.62 +/- 1.47   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.61 +/- 1.53   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.42 +/- 1.06   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.86 +/- 1.58   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  30.85 +/- 1.48   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.73 +/- 0.69   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.99 +/- 1.03   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.56 +/- 1.01   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.59 +/- 1.44   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.39 +/- 0.77   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.77 +/- 1.83   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.77 +/- 1.24   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.82 +/- 0.96   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  32.64 +/- 1.90   0.000% *  0.0121% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 158.8:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.11 +/- 0.02  99.969% * 97.1326% (1.00  10.0 10.00   4.00 158.76) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.05 +/- 1.26   0.023% *  0.6672% (0.69   1.0 10.00   0.02   1.81) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  11.54 +/- 1.88   0.007% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  15.40 +/- 0.88   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.73 +/- 1.69   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  21.61 +/- 1.11   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.42 +/- 2.11   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.95 +/- 0.68   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  30.31 +/- 2.06   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.8:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.00 +/- 0.48  99.736% * 98.6090% (1.00 10.00   5.05 158.76) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.86 +/- 0.57   0.219% *  0.6725% (0.68 10.00   0.02   1.81) =   0.001%
        T HA    LYS+ 102 - QE    LYS+  38  12.21 +/- 1.33   0.030% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  18.65 +/- 0.51   0.003% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.86 +/- 0.96   0.002% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  21.57 +/- 1.35   0.001% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.58 +/- 0.86   0.001% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  18.05 +/- 0.84   0.003% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  20.69 +/- 0.75   0.001% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QE    LYS+  99  23.55 +/- 0.74   0.001% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QE    LYS+ 102  25.44 +/- 0.92   0.000% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  22.29 +/- 0.91   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  29.39 +/- 1.17   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.74 +/- 0.88   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  21.55 +/- 0.67   0.001% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  28.63 +/- 1.02   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QE    LYS+  38  30.25 +/- 0.73   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.87 +/- 1.15   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 158.8:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.58 +/- 0.37  97.776% * 97.3354% (1.00 10.00   4.75 158.76) =  99.994%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.15 +/- 1.44   0.622% *  0.6638% (0.68 10.00   0.02   1.81) =   0.004%
        T HB    VAL   41 - QE    LYS+  99   7.65 +/- 0.58   0.181% *  0.3231% (0.33 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+ 102   6.16 +/- 0.64   1.055% *  0.0332% (0.34  1.00   0.02  22.39) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  10.10 +/- 0.97   0.045% *  0.4738% (0.49 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38  10.67 +/- 1.62   0.083% *  0.2228% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.58 +/- 0.69   0.085% *  0.0641% (0.66  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.59 +/- 0.69   0.019% *  0.1085% (0.11 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  10.02 +/- 0.97   0.042% *  0.0456% (0.47  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.76 +/- 0.58   0.043% *  0.0226% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  14.59 +/- 0.83   0.005% *  0.0939% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.63 +/- 0.89   0.006% *  0.0651% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  12.07 +/- 0.45   0.013% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  13.93 +/- 3.79   0.012% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  17.75 +/- 1.06   0.001% *  0.0669% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.84 +/- 1.36   0.002% *  0.0323% (0.33  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  19.05 +/- 0.67   0.001% *  0.0613% (0.63  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.89 +/- 1.34   0.000% *  0.0899% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.12 +/- 0.79   0.000% *  0.0954% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.80 +/- 1.22   0.005% *  0.0076% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  17.34 +/- 1.07   0.002% *  0.0153% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  20.30 +/- 0.88   0.001% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  20.56 +/- 2.49   0.001% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.75 +/- 1.06   0.000% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.55 +/- 1.81   0.001% *  0.0108% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.13 +/- 1.32   0.000% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  26.95 +/- 0.81   0.000% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.13 +/- 1.04   0.000% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  23.29 +/- 3.55   0.000% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  31.86 +/- 0.81   0.000% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.992, support = 4.36, residual support = 156.3:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.27 +/- 0.08  65.734% * 94.7662% (1.00  10.0 10.00   4.41 158.76) =  98.333%  kept
          HG    LEU   40 - QE    LYS+  99   3.87 +/- 0.71  32.907% *  3.2006% (0.55   1.0  1.00   1.24  12.59) =   1.663%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.58 +/- 1.60   0.379% *  0.6463% (0.68   1.0 10.00   0.02   1.81) =   0.004%
        T HG2   LYS+ 102 - QE    LYS+  38  11.61 +/- 2.40   0.105% *  0.2169% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99   9.99 +/- 2.24   0.322% *  0.0444% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  99  10.04 +/- 2.29   0.242% *  0.0444% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  10.90 +/- 1.49   0.066% *  0.0561% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.41 +/- 0.91   0.039% *  0.0759% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  11.99 +/- 1.14   0.033% *  0.0633% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  11.97 +/- 2.77   0.049% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  11.56 +/- 0.79   0.036% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  15.73 +/- 1.22   0.006% *  0.0929% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.86 +/- 0.63   0.008% *  0.0340% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  16.66 +/- 1.64   0.004% *  0.0518% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  13.82 +/- 1.38   0.014% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  18.51 +/- 1.65   0.002% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  18.87 +/- 2.25   0.003% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  19.03 +/- 2.17   0.002% *  0.0651% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.24 +/- 0.70   0.007% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  15.99 +/- 1.84   0.006% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.83 +/- 1.43   0.001% *  0.0759% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  16.67 +/- 1.70   0.005% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  16.60 +/- 1.33   0.004% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.75 +/- 1.30   0.004% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.63 +/- 1.03   0.002% *  0.0292% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.67 +/- 1.31   0.003% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  20.49 +/- 0.47   0.001% *  0.0499% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  19.56 +/- 1.74   0.002% *  0.0323% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  18.35 +/- 1.26   0.002% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  19.84 +/- 1.58   0.002% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  19.93 +/- 1.14   0.001% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.63 +/- 1.11   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  16.63 +/- 0.81   0.004% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  21.06 +/- 0.82   0.001% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  20.01 +/- 2.41   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  25.62 +/- 1.49   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  22.67 +/- 1.37   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  24.61 +/- 1.16   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  25.87 +/- 1.29   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 158.8:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.17 +/- 0.09  99.411% * 93.0940% (1.00  10.0 10.00   4.00 158.76) =  99.999%  kept
        T HG3   LYS+ 102 - QE    LYS+  99   9.09 +/- 1.53   0.030% *  0.6349% (0.68   1.0 10.00   0.02   1.81) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.83 +/- 0.75   0.013% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.35 +/- 0.77   0.222% *  0.0318% (0.34   1.0  1.00   0.02   2.57) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.20 +/- 0.85   0.006% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  11.81 +/- 1.12   0.005% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.73 +/- 0.29   0.119% *  0.0217% (0.23   1.0  1.00   0.02  17.77) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.29 +/- 0.66   0.039% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  11.93 +/- 2.38   0.009% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  10.54 +/- 1.29   0.010% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.19 +/- 1.01   0.052% *  0.0259% (0.28   1.0  1.00   0.02   2.57) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.31 +/- 0.84   0.043% *  0.0177% (0.19   1.0  1.00   0.02  17.77) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  17.09 +/- 1.31   0.000% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  16.58 +/- 1.12   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  11.17 +/- 4.43   0.016% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.18 +/- 0.67   0.002% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  14.28 +/- 0.45   0.001% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.57 +/- 0.92   0.009% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  16.47 +/- 1.39   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  18.78 +/- 1.08   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  24.65 +/- 0.88   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  16.66 +/- 2.33   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  15.64 +/- 1.34   0.001% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  15.07 +/- 2.68   0.002% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.50 +/- 0.47   0.001% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.25 +/- 1.38   0.002% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  23.74 +/- 1.14   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.10 +/- 1.83   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  17.65 +/- 3.08   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.91 +/- 0.71   0.000% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  17.52 +/- 0.59   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.95 +/- 0.63   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.87 +/- 1.28   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.00 +/- 2.60   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.84 +/- 0.99   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.55 +/- 0.77   0.000% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  18.07 +/- 4.53   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.32 +/- 0.99   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  21.04 +/- 0.93   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  30.36 +/- 1.86   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.82 +/- 0.73   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  26.25 +/- 0.67   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.784, support = 4.01, residual support = 168.8:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.11 +/- 0.02  32.263% * 72.2175% (1.00  10.0 10.00   4.00 158.76) =  74.012%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  33.639% * 13.2369% (0.18  10.0  1.00   3.74 217.50) =  14.144%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  34.002% * 10.9650% (0.15  10.0 10.00   4.41 173.68) =  11.843%  kept
        T QD    LYS+ 102 - QE    LYS+  99   9.05 +/- 1.26   0.008% *  0.4925% (0.68   1.0 10.00   0.02   1.81) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.40 +/- 1.36   0.013% *  0.1608% (0.22   1.0 10.00   0.02   1.81) =   0.000%
          QD    LYS+  38 - QE    LYS+  99   7.14 +/- 1.27   0.042% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.97 +/- 0.88   0.003% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.37 +/- 1.46   0.015% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  11.54 +/- 1.88   0.002% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  10.87 +/- 4.22   0.005% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  11.00 +/- 1.53   0.002% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.91 +/- 0.86   0.001% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  15.40 +/- 0.88   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  13.06 +/- 4.32   0.001% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.73 +/- 1.69   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  15.00 +/- 3.45   0.000% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.42 +/- 2.11   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.64 +/- 0.87   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.95 +/- 0.68   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  19.56 +/- 2.97   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  18.25 +/- 1.63   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.84 +/- 1.13   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  18.68 +/- 1.04   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  21.61 +/- 1.11   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  19.75 +/- 0.90   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.70 +/- 1.20   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  20.17 +/- 0.90   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.18 +/- 1.06   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  20.60 +/- 0.58   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.11 +/- 0.78   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  30.31 +/- 2.06   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  22.46 +/- 3.96   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  20.57 +/- 3.94   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  22.73 +/- 1.16   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.50 +/- 0.66   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  27.31 +/- 0.76   0.000% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.02, 3.02, 42.50 ppm):
    3 diagonal assignments:
    *     QE    LYS+ 102 - QE    LYS+ 102  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.21)  kept
 
    Peak 1250 (4.28, 4.28, 62.30 ppm):
    2 diagonal assignments:
    *     HA    ILE  103 - HA    ILE  103  (1.00)  kept
          HA    THR   39 - HA    THR   39  (0.24)  kept
 
    Peak 1251 (1.86, 4.28, 62.30 ppm):
    26 chemical-shift based assignments, quality = 0.713, support = 5.77, residual support = 138.2:
    * O T HB    ILE  103 - HA    ILE  103   2.94 +/- 0.04  25.645% * 82.5223% (1.00  10.0 10.00   5.66 138.17) =  64.224%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.45 +/- 0.25  72.182% * 16.3310% (0.20  10.0 10.00   5.98 138.17) =  35.774%  kept
          QB    LYS+ 106 - HA    ILE  103   6.37 +/- 0.32   0.258% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HA    THR   39   4.61 +/- 0.04   1.731% *  0.0068% (0.08   1.0  1.00   0.02  22.48) =   0.000%
          HB3   ASP- 105 - HA    ILE  103   7.44 +/- 0.47   0.100% *  0.0818% (0.99   1.0  1.00   0.02   2.39) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.48 +/- 0.77   0.053% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  10.60 +/- 1.13   0.017% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  15.02 +/- 0.48   0.001% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.84 +/- 0.48   0.002% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  17.07 +/- 1.86   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.58 +/- 0.37   0.003% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.57 +/- 1.05   0.002% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  18.53 +/- 0.69   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.34 +/- 0.48   0.001% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  18.23 +/- 2.42   0.001% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  19.86 +/- 0.59   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.66 +/- 0.65   0.003% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  19.46 +/- 2.02   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  19.16 +/- 3.78   0.001% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.56 +/- 1.61   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.50 +/- 1.14   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  25.18 +/- 0.37   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.93 +/- 1.20   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  29.00 +/- 2.26   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  27.77 +/- 0.78   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.95 +/- 0.85   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.931, support = 5.33, residual support = 138.2:
    * O T QG2   ILE  103 - HA    ILE  103   2.73 +/- 0.11  72.742% * 68.5552% (1.00  10.0 10.00   5.39 138.17) =  87.407%  kept
        T QD1   ILE  103 - HA    ILE  103   3.43 +/- 0.53  23.371% * 30.7355% (0.45   1.0 10.00   4.91 138.17) =  12.590%  kept
          QD2   LEU   40 - HA    ILE  103   5.36 +/- 0.47   1.594% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    THR   39   5.80 +/- 0.34   0.875% *  0.0219% (0.32   1.0  1.00   0.02  23.65) =   0.000%
          QD2   LEU   71 - HA    THR   39   5.94 +/- 0.91   1.290% *  0.0128% (0.19   1.0  1.00   0.02   0.22) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.73 +/- 0.40   0.007% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.05 +/- 1.09   0.074% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.43 +/- 2.42   0.017% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.96 +/- 0.81   0.006% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.58 +/- 0.57   0.008% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.80 +/- 2.12   0.006% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.82 +/- 0.78   0.003% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.78 +/- 0.72   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.00 +/- 2.66   0.004% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.90 +/- 1.02   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.27 +/- 0.48   0.001% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.615, support = 5.13, residual support = 138.2:
    *   T QD1   ILE  103 - HA    ILE  103   3.43 +/- 0.53  23.372% * 78.2519% (0.92   1.0 10.00   4.91 138.17) =  54.325%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.73 +/- 0.11  72.745% * 21.1374% (0.25  10.0 10.00   5.39 138.17) =  45.674%  kept
          QD2   LEU   71 - HA    THR   39   5.94 +/- 0.91   1.290% *  0.0234% (0.28   1.0  1.00   0.02   0.22) =   0.001%
          QD2   LEU   40 - HA    ILE  103   5.36 +/- 0.47   1.594% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.80 +/- 0.34   0.875% *  0.0043% (0.05   1.0  1.00   0.02  23.65) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.96 +/- 0.81   0.006% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.58 +/- 0.57   0.008% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.73 +/- 0.40   0.007% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.80 +/- 2.12   0.006% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.05 +/- 1.09   0.074% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.43 +/- 2.42   0.017% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.00 +/- 2.66   0.004% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.78 +/- 0.72   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.90 +/- 1.02   0.001% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.2:
    * O T HA    ILE  103 - HB    ILE  103   2.94 +/- 0.04  99.963% * 98.6567% (1.00  10.0 10.00   5.66 138.17) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  15.02 +/- 0.48   0.006% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  13.42 +/- 0.82   0.012% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  15.35 +/- 0.98   0.005% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  13.82 +/- 1.26   0.011% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  19.87 +/- 1.07   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  23.81 +/- 0.91   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  22.15 +/- 1.27   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.53 +/- 0.83   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  31.99 +/- 2.78   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.73 +/- 1.17   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.80 +/- 2.22   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.86, 1.86, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  103 - HB    ILE  103  (1.00)  kept
 
    Peak 1256 (0.98, 1.86, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.874, support = 4.94, residual support = 138.2:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  60.180% * 68.8462% (1.00  10.0 10.00   5.00 138.17) =  77.134%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.32 +/- 0.33  39.791% * 30.8659% (0.45  10.0 10.00   4.73 138.17) =  22.866%  kept
          QD2   LEU   40 - HB    ILE  103   7.77 +/- 0.47   0.026% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.68 +/- 2.50   0.001% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.80 +/- 0.69   0.001% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.94 +/- 0.96   0.000% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.30 +/- 1.78   0.001% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.54 +/- 0.91   0.000% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.728, support = 4.81, residual support = 138.2:
    * O T QD1   ILE  103 - HB    ILE  103   2.32 +/- 0.33  39.791% * 78.5650% (0.92  10.0 10.00   4.73 138.17) =  70.996%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  60.181% * 21.2220% (0.25  10.0 10.00   5.00 138.17) =  29.004%  kept
          QD2   LEU   40 - HB    ILE  103   7.77 +/- 0.47   0.026% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.30 +/- 1.78   0.001% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.80 +/- 0.69   0.001% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.68 +/- 2.50   0.001% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.54 +/- 0.91   0.000% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 138.2:
    * O T HA    ILE  103 - QG2   ILE  103   2.73 +/- 0.11  99.914% * 98.6567% (1.00  10.0 10.00   5.39 138.17) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.73 +/- 0.40   0.010% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103  10.15 +/- 0.61   0.043% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  12.73 +/- 0.79   0.011% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  12.07 +/- 1.01   0.015% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  15.89 +/- 0.77   0.003% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  19.65 +/- 0.67   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.91 +/- 1.16   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.70 +/- 0.74   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.94 +/- 2.26   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  22.11 +/- 0.92   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.76 +/- 1.72   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.985, support = 5.01, residual support = 138.2:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  87.927% * 82.9317% (1.00  10.0 10.00   5.00 138.17) =  98.129%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.15 +/- 0.14   8.458% * 16.4121% (0.20  10.0 10.00   5.31 138.17) =   1.868%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.92 +/- 0.48   3.286% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - QG2   ILE  103   5.45 +/- 0.28   0.323% *  0.0822% (0.99   1.0  1.00   0.02   2.39) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.00 +/- 0.69   0.001% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.54 +/- 0.44   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  15.60 +/- 1.79   0.001% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  16.29 +/- 0.62   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  14.97 +/- 1.69   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.31 +/- 1.77   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.91 +/- 0.33   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.42 +/- 1.16   0.000% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.62 +/- 1.22   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.91, residual support = 138.2:
    *   T HA    ILE  103 - QD1   ILE  103   3.43 +/- 0.53  99.156% * 98.6567% (0.92 10.00   4.91 138.17) =  99.999%  kept
        T HA    THR   39 - QD1   ILE  103  12.96 +/- 0.81   0.039% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   ILE  103   9.64 +/- 1.08   0.289% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  10.75 +/- 0.75   0.148% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103   9.63 +/- 0.94   0.323% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  14.47 +/- 1.04   0.024% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  17.77 +/- 0.87   0.006% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.31 +/- 1.40   0.008% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.45 +/- 0.94   0.003% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  26.49 +/- 2.64   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.79 +/- 1.32   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.40 +/- 2.05   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.76, support = 4.7, residual support = 138.2:
    * O T HB    ILE  103 - QD1   ILE  103   2.32 +/- 0.33  40.063% * 82.9317% (0.92  10.0 10.00   4.73 138.17) =  77.927%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.01  57.330% * 16.4121% (0.18  10.0 10.00   4.62 138.17) =  22.069%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.36 +/- 0.99   2.553% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QD1   ILE  103   7.61 +/- 0.92   0.048% *  0.0822% (0.91   1.0  1.00   0.02   2.39) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  12.79 +/- 0.74   0.001% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.57 +/- 0.76   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  14.51 +/- 0.76   0.001% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  16.85 +/- 1.54   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.99 +/- 0.78   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.97 +/- 2.01   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  16.93 +/- 1.49   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.46 +/- 1.33   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.75 +/- 1.64   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.0:
    * O T HB2   LEU  104 - HA    LEU  104   3.02 +/- 0.01  99.908% * 99.7433% (0.87  10.0 10.00   5.98 218.98) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.44 +/- 0.46   0.061% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  12.99 +/- 1.95   0.020% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  14.24 +/- 1.24   0.011% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  20.79 +/- 1.28   0.001% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.0:
    * O T HB3   LEU  104 - HA    LEU  104   2.49 +/- 0.06  99.954% * 99.4463% (0.76  10.0 10.00   5.31 218.98) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.29 +/- 1.01   0.025% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  12.42 +/- 3.11   0.010% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  13.47 +/- 0.69   0.004% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  13.58 +/- 1.14   0.004% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  15.67 +/- 0.86   0.002% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.88, residual support = 219.0:
    * O T HG    LEU  104 - HA    LEU  104   3.07 +/- 0.45  98.236% * 99.5259% (1.00  10.0 10.00   5.88 218.98) =  99.999%  kept
          HB3   LYS+ 121 - HA    LEU  104   8.63 +/- 5.07   1.184% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  104   9.22 +/- 4.39   0.555% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  16.24 +/- 2.12   0.008% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  15.42 +/- 1.66   0.010% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  20.36 +/- 0.92   0.001% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  18.68 +/- 1.29   0.003% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.26 +/- 0.86   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.32 +/- 1.18   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.0:
    *   T QD1   LEU  104 - HA    LEU  104   3.57 +/- 0.40  99.696% * 98.8828% (0.96 10.00   5.31 218.98) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  10.94 +/- 0.94   0.153% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  12.43 +/- 0.71   0.068% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.81 +/- 1.26   0.038% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  14.02 +/- 0.36   0.031% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  17.69 +/- 1.16   0.008% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  17.89 +/- 0.73   0.007% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 6.01, residual support = 219.0:
    *   T QD2   LEU  104 - HA    LEU  104   2.38 +/- 0.54  99.287% * 98.7440% (1.00 10.00   6.01 218.98) =  99.998%  kept
        T QD1   LEU   98 - HA    LEU  104   6.29 +/- 0.43   0.607% *  0.3048% (0.31 10.00   0.02   5.96) =   0.002%
        T QG1   VAL   41 - HA    LEU  104   9.16 +/- 0.79   0.054% *  0.1954% (0.20 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104   9.46 +/- 0.51   0.048% *  0.0337% (0.34  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  17.11 +/- 0.87   0.001% *  0.5590% (0.56 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.16 +/- 1.00   0.001% *  0.0953% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  18.10 +/- 0.93   0.001% *  0.0678% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.0:
    * O T HA    LEU  104 - HB2   LEU  104   3.02 +/- 0.01  99.988% * 99.7454% (0.87  10.0 10.00   5.98 218.98) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  14.32 +/- 0.84   0.009% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  18.53 +/- 0.87   0.002% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.92 +/- 1.15   0.001% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.28 +/- 2.22   0.000% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.44, residual support = 219.0:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.978% * 99.4463% (0.66  10.0 10.00   5.44 218.98) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   7.97 +/- 0.94   0.015% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  10.95 +/- 3.33   0.003% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  11.46 +/- 0.63   0.001% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  10.88 +/- 1.26   0.002% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  13.33 +/- 0.98   0.001% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.0:
    * O T HG    LEU  104 - HB2   LEU  104   2.53 +/- 0.31  98.895% * 99.5259% (0.87  10.0 10.00   6.00 218.98) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   7.72 +/- 5.26   0.724% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB2   LEU  104   8.59 +/- 4.58   0.364% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  13.26 +/- 1.56   0.009% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  15.61 +/- 2.13   0.002% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  17.82 +/- 0.94   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  16.45 +/- 1.33   0.002% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.46 +/- 0.91   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.49 +/- 1.16   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 219.0:
    * O T QD1   LEU  104 - HB2   LEU  104   2.50 +/- 0.24  99.880% * 98.8828% (0.84  10.0 10.00   5.44 218.98) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   8.78 +/- 1.11   0.081% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  10.55 +/- 0.84   0.022% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  12.46 +/- 1.49   0.009% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  13.12 +/- 0.30   0.005% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  16.83 +/- 1.26   0.001% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  16.54 +/- 0.82   0.001% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.25, residual support = 219.0:
    * O T QD2   LEU  104 - HB2   LEU  104   2.96 +/- 0.34  96.783% * 99.0156% (0.87  10.0 10.00   6.25 218.98) =  99.998%  kept
        T QG1   VAL   41 - HB2   LEU  104   7.77 +/- 0.84   0.459% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB2   LEU  104   5.90 +/- 0.57   2.387% *  0.0306% (0.27   1.0  1.00   0.02   5.96) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   7.92 +/- 0.58   0.350% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.78 +/- 0.96   0.008% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  14.98 +/- 1.06   0.007% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  16.29 +/- 0.98   0.004% *  0.0680% (0.60   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.0:
    * O T HA    LEU  104 - HB3   LEU  104   2.49 +/- 0.06  99.998% * 99.7454% (0.76  10.0 10.00   5.31 218.98) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  15.63 +/- 0.88   0.002% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  19.90 +/- 0.92   0.000% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.01 +/- 1.25   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.24 +/- 2.33   0.000% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.44, residual support = 219.0:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.995% * 99.7433% (0.66  10.0 10.00   5.44 218.98) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  10.83 +/- 0.34   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  11.59 +/- 2.23   0.002% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  12.35 +/- 1.42   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.77 +/- 1.29   0.000% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 219.0:
    * O T HG    LEU  104 - HB3   LEU  104   2.88 +/- 0.16  94.085% * 99.5259% (0.76  10.0 10.00   5.28 218.98) =  99.995%  kept
          HB3   LYS+ 121 - HB3   LEU  104   6.98 +/- 5.52   4.458% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HB3   LEU  104   7.89 +/- 4.81   1.431% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   LEU  104  13.31 +/- 1.70   0.015% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  15.86 +/- 2.15   0.005% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.26 +/- 1.04   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  17.81 +/- 1.36   0.002% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.19 +/- 1.30   0.001% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.86 +/- 0.92   0.001% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 219.0:
    * O T QD1   LEU  104 - HB3   LEU  104   2.34 +/- 0.33  99.945% * 98.8828% (0.74  10.0 10.00   5.00 218.98) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   9.57 +/- 1.12   0.036% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  11.95 +/- 0.87   0.009% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  12.64 +/- 1.50   0.007% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  14.30 +/- 0.30   0.003% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  18.19 +/- 1.24   0.001% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  17.96 +/- 0.83   0.001% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.44, residual support = 219.0:
    * O T QD2   LEU  104 - HB3   LEU  104   2.65 +/- 0.34  99.420% * 99.0156% (0.76  10.0 10.00   5.44 218.98) = 100.000%  kept
        T QG1   VAL   41 - HB3   LEU  104   8.94 +/- 0.85   0.085% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB3   LEU  104   7.09 +/- 0.51   0.422% *  0.0306% (0.24   1.0  1.00   0.02   5.96) =   0.000%
          QG1   VAL   43 - HB3   LEU  104   9.38 +/- 0.58   0.066% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.90 +/- 1.07   0.003% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.19 +/- 1.13   0.002% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.52 +/- 1.02   0.002% *  0.0680% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.88, residual support = 219.0:
    * O T HA    LEU  104 - HG    LEU  104   3.07 +/- 0.45  99.983% * 99.7454% (1.00  10.0 10.00   5.88 218.98) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  14.80 +/- 0.97   0.013% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  18.80 +/- 1.07   0.003% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  23.11 +/- 1.55   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.03 +/- 2.55   0.000% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.0:
    * O T HB2   LEU  104 - HG    LEU  104   2.53 +/- 0.31  99.974% * 99.7433% (0.87  10.0 10.00   6.00 218.98) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.68 +/- 0.39   0.013% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  13.20 +/- 2.27   0.007% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  13.52 +/- 1.52   0.006% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.97 +/- 1.29   0.000% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 219.0:
    * O T HB3   LEU  104 - HG    LEU  104   2.88 +/- 0.16  99.637% * 99.4463% (0.76  10.0 10.00   5.28 218.98) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  104   8.48 +/- 1.18   0.277% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  12.36 +/- 3.44   0.030% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  11.40 +/- 0.63   0.030% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  12.75 +/- 1.47   0.019% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  14.43 +/- 1.11   0.008% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 219.0:
    * O T QD1   LEU  104 - HG    LEU  104   2.12 +/- 0.02  99.981% * 98.8828% (0.97  10.0 10.00   5.28 218.98) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104  10.51 +/- 1.32   0.009% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  10.86 +/- 0.99   0.007% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.43 +/- 1.48   0.001% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  17.13 +/- 1.38   0.000% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.11 +/- 0.88   0.000% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  14.32 +/- 0.42   0.001% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 219.0:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.474% * 99.0156% (1.00  10.0 10.00   6.02 218.98) = 100.000%  kept
        T QG1   VAL   41 - HG    LEU  104   7.08 +/- 1.17   0.116% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU  104   5.63 +/- 0.62   0.378% *  0.0306% (0.31   1.0  1.00   0.02   5.96) =   0.000%
          QG1   VAL   43 - HG    LEU  104   8.47 +/- 0.90   0.030% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.87 +/- 1.22   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.28 +/- 1.23   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.65 +/- 0.92   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.0:
    *   T HA    LEU  104 - QD1   LEU  104   3.57 +/- 0.40  99.360% * 99.2875% (0.96 10.00   5.31 218.98) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  10.94 +/- 0.94   0.152% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  12.43 +/- 0.71   0.068% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  13.67 +/- 1.04   0.037% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  10.90 +/- 0.66   0.156% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  12.47 +/- 1.02   0.069% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  12.44 +/- 0.71   0.068% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  17.00 +/- 1.07   0.010% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  18.61 +/- 1.26   0.006% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  14.17 +/- 0.74   0.029% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.82 +/- 0.97   0.016% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.47 +/- 1.76   0.014% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  21.88 +/- 2.00   0.002% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  17.17 +/- 0.61   0.009% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.77 +/- 1.34   0.003% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.75, support = 5.34, residual support = 215.2:
    * O T HB2   LEU  104 - QD1   LEU  104   2.50 +/- 0.24  25.584% * 88.2725% (0.84  10.0 10.00   5.44 218.98) =  89.014%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  65.011% *  3.2824% (0.03  10.0 10.00   5.56 240.83) =   8.411%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.92 +/- 1.43   9.308% *  7.0190% (0.10   1.0 10.00   1.32   0.60) =   2.575%  kept
        T QD1   ILE  119 - QD1   LEU  104  10.55 +/- 2.11   0.006% *  0.5761% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   8.78 +/- 1.11   0.016% *  0.1626% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.66 +/- 1.48   0.006% *  0.1782% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  10.55 +/- 0.84   0.005% *  0.1626% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   8.18 +/- 1.02   0.024% *  0.0181% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.44 +/- 0.46   0.004% *  0.0982% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  12.01 +/- 1.48   0.002% *  0.1061% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.88 +/- 1.60   0.025% *  0.0099% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  10.54 +/- 1.00   0.005% *  0.0328% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  10.91 +/- 0.75   0.004% *  0.0181% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.09 +/- 1.08   0.000% *  0.0535% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.63 +/- 1.57   0.000% *  0.0099% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.705, support = 5.04, residual support = 220.0:
    * O T HB3   LEU  104 - QD1   LEU  104   2.34 +/- 0.33  51.150% * 89.6045% (0.74  10.0 10.00   5.00 218.98) =  95.080%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.54 +/- 0.13  26.660% *  8.8779% (0.07  10.0 10.00   5.80 240.83) =   4.910%  kept
          QD1   LEU   71 - QD1   LEU   73   3.29 +/- 0.93  17.302% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   18 - QD1   LEU   63   5.61 +/- 1.06   3.718% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   6.19 +/- 1.09   0.238% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   63   6.89 +/- 1.74   0.386% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.26 +/- 1.09   0.240% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.94 +/- 1.37   0.010% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.15 +/- 0.53   0.151% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.40 +/- 3.34   0.023% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   9.57 +/- 1.12   0.012% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.39 +/- 0.68   0.014% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   7.59 +/- 0.90   0.065% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.21 +/- 1.62   0.010% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  11.95 +/- 0.87   0.003% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  11.78 +/- 1.19   0.003% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   9.22 +/- 1.19   0.015% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.58 +/- 1.77   0.002% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 219.0:
    * O T HG    LEU  104 - QD1   LEU  104   2.12 +/- 0.02  98.561% * 98.9901% (0.97  10.0 10.00   5.28 218.98) =  99.999%  kept
          HB3   LYS+ 121 - QD1   LEU  104   7.29 +/- 4.84   0.379% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   8.29 +/- 4.15   0.129% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   7.87 +/- 1.34   0.095% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  10.51 +/- 1.32   0.009% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.14 +/- 0.85   0.234% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   5.73 +/- 0.67   0.352% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  10.86 +/- 0.99   0.006% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.53 +/- 0.91   0.071% *  0.0125% (0.12   1.0  1.00   0.02   5.57) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   8.44 +/- 1.89   0.041% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  10.98 +/- 1.62   0.008% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   8.76 +/- 0.37   0.020% *  0.0176% (0.17   1.0  1.00   0.02  40.88) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  10.10 +/- 1.79   0.019% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   8.74 +/- 1.50   0.029% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.32 +/- 0.62   0.030% *  0.0045% (0.04   1.0  1.00   0.02   1.41) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.14 +/- 1.72   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.25 +/- 1.18   0.002% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.16 +/- 1.06   0.001% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  13.35 +/- 1.25   0.002% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  14.82 +/- 2.67   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  15.08 +/- 1.00   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.85 +/- 1.37   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  13.73 +/- 1.41   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.30 +/- 1.03   0.003% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.75 +/- 1.26   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.33 +/- 1.57   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.46 +/- 2.27   0.001% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.964, support = 5.51, residual support = 218.7:
    * O T QD2   LEU  104 - QD1   LEU  104   2.09 +/- 0.04  77.154% * 97.8153% (0.97  10.0 10.00   5.51 218.98) =  99.866%  kept
          QG1   VAL   43 - QD1   LEU   73   2.91 +/- 0.62  20.049% *  0.4998% (0.06   1.0  1.00   1.63   8.77) =   0.133%
        T QG1   VAL   41 - QD1   LEU   73   4.51 +/- 0.65   1.202% *  0.0357% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   6.20 +/- 0.95   0.166% *  0.1936% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.78 +/- 1.12   0.155% *  0.1020% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   4.93 +/- 0.76   0.693% *  0.0174% (0.17   1.0  1.00   0.02   4.00) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   6.97 +/- 0.76   0.068% *  0.1020% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   5.78 +/- 0.67   0.218% *  0.0302% (0.30   1.0  1.00   0.02   5.96) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.40 +/- 1.05   0.011% *  0.1802% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73   9.85 +/- 0.98   0.009% *  0.1802% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.63 +/- 0.67   0.038% *  0.0334% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.98 +/- 1.08   0.001% *  0.5538% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   6.56 +/- 0.67   0.100% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   8.27 +/- 1.17   0.033% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.56 +/- 0.80   0.010% *  0.0357% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.27 +/- 0.53   0.049% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.60 +/- 0.58   0.018% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.55 +/- 1.18   0.002% *  0.0944% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63   9.96 +/- 1.03   0.009% *  0.0174% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   9.25 +/- 1.13   0.015% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.95 +/- 1.08   0.001% *  0.0672% (0.66   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 6.01, residual support = 219.0:
    *   T HA    LEU  104 - QD2   LEU  104   2.38 +/- 0.54  99.872% * 99.4871% (1.00 10.00   6.01 218.98) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   9.16 +/- 0.79   0.054% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  12.90 +/- 1.12   0.009% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.46 +/- 0.57   0.028% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  17.11 +/- 0.87   0.001% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  16.26 +/- 1.20   0.002% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  19.92 +/- 1.23   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  11.49 +/- 0.53   0.015% *  0.0024% (0.02  1.00   0.02   0.25) =   0.000%
          HA    ALA   12 - QG2   VAL   18  15.84 +/- 0.65   0.002% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  22.98 +/- 2.10   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  13.59 +/- 0.64   0.005% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.39 +/- 1.07   0.004% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  16.75 +/- 0.84   0.002% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.38 +/- 0.93   0.001% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.32 +/- 1.98   0.002% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.25, residual support = 219.0:
    * O T HB2   LEU  104 - QD2   LEU  104   2.96 +/- 0.34  98.186% * 99.4846% (0.87  10.0 10.00   6.25 218.98) = 100.000%  kept
        T HB2   LEU  104 - QG1   VAL   41   7.77 +/- 0.84   0.467% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.16 +/- 0.43   0.066% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.18 +/- 1.95   0.955% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  11.41 +/- 1.90   0.042% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   9.84 +/- 1.21   0.141% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.78 +/- 0.96   0.008% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  11.98 +/- 1.36   0.028% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.82 +/- 0.96   0.019% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.76 +/- 0.47   0.029% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  18.74 +/- 1.09   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  16.82 +/- 2.20   0.008% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  13.15 +/- 1.72   0.019% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  12.18 +/- 0.87   0.027% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  21.46 +/- 1.54   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.519, support = 4.88, residual support = 163.5:
    * O T HB3   LEU  104 - QD2   LEU  104   2.65 +/- 0.34  20.944% * 83.3286% (0.76  10.0 10.00   5.44 218.98) =  60.860%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.05  74.695% * 15.0261% (0.14  10.0 10.00   4.00  77.20) =  39.139%  kept
          QD1   LEU   71 - QG1   VAL   41   4.38 +/- 0.99   4.080% *  0.0058% (0.05   1.0  1.00   0.02   4.41) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   7.51 +/- 1.04   0.044% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.76 +/- 1.16   0.002% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.51 +/- 1.26   0.064% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.40 +/- 3.03   0.008% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.21 +/- 1.12   0.008% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   8.94 +/- 0.85   0.014% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.60 +/- 0.66   0.008% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.76 +/- 0.44   0.068% *  0.0057% (0.05   1.0  1.00   0.02   2.72) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.56 +/- 0.87   0.019% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   8.31 +/- 1.51   0.034% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.28 +/- 1.23   0.003% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.90 +/- 1.07   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  12.27 +/- 1.57   0.003% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.32 +/- 2.42   0.002% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.54 +/- 1.15   0.003% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 219.0:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  87.906% * 99.1838% (1.00  10.0 10.00   6.02 218.98) =  99.997%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.68 +/- 3.14   2.958% *  0.0439% (0.04   1.0  1.00   0.23   0.02) =   0.001%
          HD3   LYS+  74 - QG2   VAL   18   3.95 +/- 1.24   8.487% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QD2   LEU  104   8.03 +/- 4.53   0.123% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.78 +/- 3.99   0.189% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   7.08 +/- 1.17   0.106% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  12.37 +/- 1.63   0.004% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   6.75 +/- 0.99   0.130% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   7.78 +/- 1.28   0.053% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18  10.78 +/- 2.21   0.014% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.87 +/- 1.22   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.31 +/- 1.84   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.12 +/- 1.36   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.09 +/- 1.05   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  10.89 +/- 1.04   0.006% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  13.43 +/- 3.66   0.002% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.58 +/- 0.92   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.67 +/- 0.55   0.010% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  16.01 +/- 1.74   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.35 +/- 1.33   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.57 +/- 0.53   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  16.86 +/- 1.48   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.52 +/- 1.13   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  16.55 +/- 1.85   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  14.28 +/- 3.06   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  18.53 +/- 1.84   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  16.09 +/- 0.85   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.51, residual support = 219.0:
    * O T QD1   LEU  104 - QD2   LEU  104   2.09 +/- 0.04  97.841% * 98.4528% (0.97  10.0 10.00   5.51 218.98) =  99.999%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.51 +/- 0.65   1.521% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.78 +/- 1.12   0.216% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.20 +/- 0.95   0.238% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.40 +/- 1.05   0.014% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   6.97 +/- 0.76   0.089% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104   9.85 +/- 0.98   0.011% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.98 +/- 1.08   0.002% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.56 +/- 0.80   0.012% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  12.43 +/- 1.21   0.003% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18   9.54 +/- 1.44   0.015% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  14.95 +/- 1.23   0.001% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  11.36 +/- 1.49   0.006% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.03 +/- 1.05   0.001% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  12.59 +/- 0.75   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.44 +/- 1.21   0.003% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  10.70 +/- 1.09   0.007% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  10.44 +/- 0.72   0.007% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  10.79 +/- 0.76   0.006% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.20 +/- 0.29   0.004% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  14.60 +/- 1.32   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (0.73, 0.73, 22.45 ppm):
    3 diagonal assignments:
    *     QD2   LEU  104 - QD2   LEU  104  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.09)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.01)  kept
 
    Peak 1302 (4.80, 4.80, 54.18 ppm):
    1 diagonal assignment:
    *     HA    ASP- 105 - HA    ASP- 105  (1.00)  kept
 
    Peak 1303 (2.23, 4.80, 54.18 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.23, residual support = 43.4:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.56 +/- 0.23  99.887% * 99.5527% (0.95  10.0 10.00   3.23  43.37) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   9.01 +/- 0.22   0.059% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  10.23 +/- 2.35   0.041% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.06 +/- 0.52   0.003% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.33 +/- 1.15   0.007% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  16.42 +/- 1.27   0.002% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.16 +/- 0.39   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.52 +/- 0.59   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.39 +/- 0.85   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.23, residual support = 43.4:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.56 +/- 0.23  99.999% * 99.7814% (0.95  10.0 10.00   3.23  43.37) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  22.59 +/- 0.89   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  25.57 +/- 1.14   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  24.11 +/- 1.08   0.000% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  23.89 +/- 0.84   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 136.2:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.14 +/- 0.00  98.575% * 99.1664% (1.00  10.0 10.00   6.31 136.19) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.55 +/- 0.51   1.383% *  0.0860% (0.87   1.0  1.00   0.02  23.13) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.34 +/- 0.59   0.032% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.29 +/- 2.47   0.004% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  14.63 +/- 0.56   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.93 +/- 0.62   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  16.68 +/- 2.18   0.001% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.54 +/- 0.49   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  17.79 +/- 0.54   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  18.77 +/- 1.67   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.06 +/- 0.68   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  19.02 +/- 0.47   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.60 +/- 1.82   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 136.2:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   4.08 +/- 0.11  99.045% * 98.2431% (1.00  10.0 10.00   5.02 136.19) = 100.000%  kept
        T QG    LYS+  81 - HA    LYS+ 106  17.52 +/- 0.54   0.016% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 106   9.87 +/- 2.05   0.865% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  18.69 +/- 1.18   0.012% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  14.29 +/- 0.97   0.062% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 136.2:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.74 +/- 0.16  98.442% * 98.5750% (1.00 10.00   4.80 136.19) =  99.998%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.71 +/- 0.72   0.122% *  0.9836% (1.00 10.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    LYS+ 106  10.01 +/- 2.33   0.615% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.59 +/- 1.66   0.154% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  12.05 +/- 0.55   0.094% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  11.29 +/- 1.18   0.173% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  11.10 +/- 0.63   0.167% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.27 +/- 0.81   0.056% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.85 +/- 1.33   0.140% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.46 +/- 2.14   0.038% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.976, support = 5.15, residual support = 124.9:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.20 +/- 0.21  56.325% * 88.6761% (1.00 10.00   5.31 136.19) =  91.132%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.47 +/- 0.58  43.520% * 11.1671% (0.73  1.00   3.47   8.77) =   8.867%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.94 +/- 1.50   0.128% *  0.0839% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  15.49 +/- 0.54   0.022% *  0.0609% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  19.44 +/- 1.08   0.006% *  0.0120% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 136.2:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.14 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   6.31 136.19) = 100.000%  kept
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 136.2:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.22 +/- 0.06  99.963% * 98.2431% (1.00  10.0 10.00   5.31 136.19) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  14.89 +/- 0.76   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106   9.10 +/- 1.83   0.034% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  17.25 +/- 1.17   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  13.59 +/- 0.84   0.002% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 136.2:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.36 +/- 0.21  99.830% * 97.1433% (1.00  10.0 10.00   5.07 136.19) =  99.999%  kept
        T QG1   ILE   56 - QB    LYS+ 106  10.02 +/- 2.23   0.051% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.31 +/- 1.52   0.021% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  11.16 +/- 0.57   0.011% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.60 +/- 0.41   0.015% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.70 +/- 1.59   0.002% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  10.55 +/- 0.92   0.019% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.00 +/- 1.33   0.029% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.19 +/- 0.84   0.006% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.54 +/- 0.52   0.015% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.983, support = 5.34, residual support = 128.1:
    *   T QE    LYS+ 106 - QB    LYS+ 106   3.14 +/- 0.63  89.523% * 63.1789% (1.00 10.00   5.59 136.19) =  93.671%  kept
        T HB2   PHE   97 - QB    LYS+ 106   4.94 +/- 0.65  10.410% * 36.7094% (0.73 10.00   1.60   8.77) =   6.329%  kept
          HB3   PHE   60 - QB    LYS+ 106  12.08 +/- 1.49   0.043% *  0.0598% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  13.65 +/- 0.53   0.019% *  0.0434% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  17.35 +/- 1.21   0.005% *  0.0086% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 136.2:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   4.08 +/- 0.11  99.972% * 99.1803% (1.00  10.0 10.00   5.02 136.19) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  18.69 +/- 1.18   0.012% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  17.52 +/- 0.54   0.016% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.745, support = 5.27, residual support = 134.4:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.22 +/- 0.06  29.831% * 54.3218% (1.00  10.0 10.00   5.31 136.19) =  54.157%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.24 +/- 0.03  27.960% * 31.1646% (0.57  10.0 10.00   5.67 150.46) =  29.122%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.03  41.954% * 11.9258% (0.22  10.0 10.00   4.44 100.71) =  16.721%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.72 +/- 0.72   0.137% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.66 +/- 0.29   0.043% *  0.0471% (0.87   1.0  1.00   0.02  23.13) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.51 +/- 0.52   0.053% *  0.0135% (0.25   1.0  1.00   0.02   0.16) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.40 +/- 1.29   0.009% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.72 +/- 1.00   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.82 +/- 1.15   0.003% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  17.25 +/- 1.17   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.61 +/- 0.79   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  14.89 +/- 0.76   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  13.94 +/- 1.12   0.001% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81   9.57 +/- 1.34   0.007% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.57 +/- 2.68   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.31 +/- 0.75   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.56 +/- 0.77   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  15.33 +/- 1.47   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.46 +/- 0.60   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.65 +/- 2.21   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.22 +/- 1.01   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.40 +/- 1.24   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  18.97 +/- 1.61   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.50 +/- 0.58   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.87 +/- 1.68   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.16 +/- 1.30   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.11 +/- 0.66   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  17.90 +/- 1.86   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.07 +/- 0.81   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.45 +/- 1.79   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.43 +/- 1.38   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.28 +/- 0.66   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.34 +/- 1.39   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.59 +/- 2.65   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  23.73 +/- 1.08   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.14 +/- 1.18   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.83 +/- 1.24   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.13 +/- 0.45   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.72 +/- 1.01   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 136.2:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.25 +/- 0.10  99.880% * 96.6493% (1.00  10.0 10.00   4.10 136.19) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  12.17 +/- 0.59   0.004% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  12.92 +/- 1.27   0.004% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33   9.10 +/- 0.73   0.026% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106   9.77 +/- 1.72   0.035% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  10.29 +/- 1.65   0.019% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  13.95 +/- 1.90   0.004% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  13.12 +/- 2.48   0.005% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.52 +/- 0.50   0.006% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.89 +/- 0.57   0.002% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  19.55 +/- 1.15   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  16.74 +/- 1.18   0.001% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  15.08 +/- 1.02   0.001% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.00 +/- 1.02   0.002% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  13.52 +/- 1.36   0.003% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  13.47 +/- 0.39   0.002% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  17.25 +/- 2.03   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.91 +/- 0.72   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  14.40 +/- 1.64   0.002% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.87 +/- 1.47   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.27 +/- 1.29   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  20.72 +/- 1.21   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  22.81 +/- 0.96   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  23.98 +/- 3.49   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  21.12 +/- 1.49   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  23.53 +/- 1.16   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  21.09 +/- 1.46   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.06 +/- 1.98   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  23.43 +/- 0.65   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  27.89 +/- 2.08   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 136.2:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.86 +/- 0.31  97.688% * 98.7341% (1.00  10.0 10.00   4.59 136.19) =  99.998%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.15 +/- 0.70   1.930% *  0.0717% (0.73   1.0  1.00   0.02   8.77) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.98 +/- 0.77   0.282% *  0.0081% (0.08   1.0  1.00   0.02   0.92) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  11.33 +/- 0.49   0.031% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  19.26 +/- 1.20   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  10.75 +/- 0.70   0.045% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  17.39 +/- 1.63   0.002% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  15.72 +/- 1.62   0.005% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.49 +/- 0.80   0.003% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  15.77 +/- 1.20   0.005% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  18.55 +/- 1.39   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.99 +/- 0.78   0.003% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.52 +/- 0.49   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.37 +/- 1.43   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.61 +/- 1.04   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 136.2:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.74 +/- 0.16  99.876% * 99.1942% (0.99 10.00   4.80 136.19) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.71 +/- 0.72   0.124% *  0.8058% (0.81 10.00   0.02   0.02) =   0.001%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 5.07, residual support = 136.2:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.36 +/- 0.21  98.535% * 96.5416% (0.99  10.0 10.00   5.07 136.19) =  99.999%  kept
          HB3   ASP- 105 - QD    LYS+ 106   5.70 +/- 0.56   0.745% *  0.0837% (0.86   1.0  1.00   0.02  23.13) =   0.001%
          HB    ILE  103 - QD    LYS+ 106   6.55 +/- 0.59   0.291% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   6.77 +/- 1.03   0.292% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  11.16 +/- 0.57   0.011% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  13.06 +/- 2.28   0.006% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   9.23 +/- 1.17   0.052% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.53 +/- 0.59   0.029% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  10.90 +/- 1.26   0.014% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  12.63 +/- 1.37   0.006% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.24 +/- 1.07   0.006% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  20.47 +/- 1.44   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.89 +/- 0.72   0.004% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  16.65 +/- 1.11   0.001% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.69 +/- 0.91   0.002% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  17.93 +/- 2.19   0.001% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.09 +/- 0.58   0.001% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  18.98 +/- 1.54   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  17.04 +/- 0.87   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.81 +/- 0.49   0.000% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.53 +/- 1.69   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  23.07 +/- 0.68   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  23.42 +/- 0.70   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  26.06 +/- 1.84   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.20 +/- 0.83   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.25 +/- 1.18   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.1, residual support = 136.2:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.25 +/- 0.10  99.937% * 96.1045% (0.99  10.0 10.00   4.10 136.19) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  12.17 +/- 0.59   0.004% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  12.92 +/- 1.27   0.004% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106   8.80 +/- 1.88   0.052% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  16.74 +/- 1.18   0.001% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  19.55 +/- 1.15   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  22.91 +/- 0.72   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.08 +/- 0.89   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.74 +/- 1.04   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.48 +/- 2.45   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.45, residual support = 136.2:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.02  99.809% * 98.7514% (0.99  10.0 10.00   3.45 136.19) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.45 +/- 0.59   0.138% *  0.0717% (0.72   1.0  1.00   0.02   8.77) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  10.98 +/- 1.14   0.006% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.85 +/- 0.59   0.040% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  14.00 +/- 1.25   0.001% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  11.48 +/- 0.98   0.004% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.27 +/- 0.68   0.000% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  17.57 +/- 1.66   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.33 +/- 0.83   0.000% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  19.10 +/- 1.21   0.000% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 136.2:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.20 +/- 0.21 100.000% *100.0000% (1.00 10.00   5.31 136.19) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1337 (1.87, 2.98, 42.19 ppm):
    13 chemical-shift based assignments, quality = 0.98, support = 5.35, residual support = 119.6:
    *   T QB    LYS+ 106 - QE    LYS+ 106   3.14 +/- 0.63  80.218% * 53.3343% (1.00 10.00   5.59 136.19) =  85.296%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   5.19 +/- 1.34  15.938% * 46.2637% (0.87 10.00   3.94  23.13) =  14.700%  kept
          HB    ILE  103 - QE    LYS+ 106   6.26 +/- 1.02   3.769% *  0.0427% (0.80  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - QE    LYS+ 106  13.38 +/- 2.30   0.019% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  13.57 +/- 2.22   0.014% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  17.28 +/- 2.40   0.008% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  13.64 +/- 1.43   0.013% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.83 +/- 0.69   0.003% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  17.33 +/- 1.70   0.003% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.10 +/- 1.18   0.004% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.38 +/- 1.80   0.002% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.02 +/- 0.91   0.004% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  17.52 +/- 1.65   0.004% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 136.2:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.86 +/- 0.31  99.756% * 98.2431% (1.00  10.0 10.00   4.59 136.19) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106   9.27 +/- 2.28   0.237% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  17.39 +/- 1.63   0.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  19.26 +/- 1.20   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.35 +/- 0.97   0.003% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.45, residual support = 136.2:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.02  99.915% * 98.5861% (0.99  10.0 10.00   3.45 136.19) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.98 +/- 1.14   0.006% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.18 +/- 2.23   0.022% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.49 +/- 1.87   0.034% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  11.30 +/- 2.22   0.009% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.73 +/- 1.11   0.007% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  13.09 +/- 1.32   0.002% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  12.55 +/- 1.48   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.96 +/- 0.95   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  14.15 +/- 2.38   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 58.2:
    * O T HB    VAL  107 - HA    VAL  107   2.97 +/- 0.10  99.803% * 99.6302% (0.73  10.0 10.00   3.31  58.23) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.17 +/- 0.95   0.072% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.49 +/- 0.31   0.098% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.93 +/- 0.41   0.025% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.01 +/- 0.70   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.55 +/- 0.89   0.001% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  20.05 +/- 0.90   0.001% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 58.2:
    * O T HA    VAL  107 - HB    VAL  107   2.97 +/- 0.10  98.433% * 99.7511% (0.73  10.0 10.00   3.31  58.23) =  99.999%  kept
          HA    ALA  110 - HB    VAL  107   6.70 +/- 1.39   1.512% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  11.90 +/- 0.52   0.025% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  12.74 +/- 1.14   0.018% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  13.96 +/- 0.74   0.010% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  17.45 +/- 0.69   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HB    VAL  108 - HA    VAL  108   2.67 +/- 0.36  98.119% * 99.4465% (1.00  10.0 10.00   3.30  62.13) =  99.998%  kept
          HB2   PRO   93 - HA    VAL  108   5.70 +/- 0.77   1.863% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    VAL  108  12.86 +/- 1.16   0.011% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.74 +/- 1.85   0.005% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  19.12 +/- 0.87   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  19.78 +/- 1.11   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.97 +/- 0.46   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.84 +/- 1.56   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  37.13 +/- 1.79   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.1:
    * O T QG1   VAL  108 - HA    VAL  108   2.60 +/- 0.04  99.979% * 99.8607% (1.00  10.0 10.00   3.97  62.13) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  13.18 +/- 1.20   0.007% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.15 +/- 0.69   0.006% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.39 +/- 0.92   0.006% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.34 +/- 2.07   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T QG2   VAL  108 - HA    VAL  108   2.61 +/- 0.49  99.882% * 99.7938% (1.00  10.0 10.00   3.30  62.13) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108   9.75 +/- 1.37   0.087% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  11.80 +/- 0.85   0.023% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.54 +/- 0.35   0.008% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - HB    VAL  108   2.67 +/- 0.36  98.126% * 99.8175% (1.00  10.0 10.00   3.30  62.13) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.51 +/- 0.28   1.862% *  0.0308% (0.31   1.0  1.00   0.02   7.68) =   0.001%
          HA    ALA   47 - HB    VAL  108  14.28 +/- 1.64   0.005% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - HB    VAL  108  14.15 +/- 1.72   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  18.74 +/- 1.76   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.12 +/- 0.01  99.995% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  14.38 +/- 1.06   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  13.12 +/- 0.77   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  14.58 +/- 1.03   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.98 +/- 2.12   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T QG2   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.990% * 99.1471% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.11 +/- 1.36   0.007% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.78 +/- 0.19   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  13.61 +/- 0.76   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 3.96, residual support = 61.6:
    * O T HA    VAL  108 - QG1   VAL  108   2.60 +/- 0.04  82.702% * 95.2091% (1.00  10.0 10.00   3.97  62.13) =  98.992%  kept
          HA1   GLY  109 - QG1   VAL  108   3.42 +/- 0.27  17.262% *  4.6462% (0.31   1.0  1.00   3.16   7.68) =   1.008%  kept
          HA    ALA   47 - QG1   VAL  108  11.39 +/- 1.51   0.016% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QG1   VAL  108  11.24 +/- 1.73   0.018% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  14.83 +/- 1.82   0.003% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T HB    VAL  108 - QG1   VAL  108   2.12 +/- 0.01  99.893% * 99.4465% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   6.88 +/- 0.73   0.102% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  12.97 +/- 0.88   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.90 +/- 1.83   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  17.34 +/- 0.95   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  17.98 +/- 1.08   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.96 +/- 0.41   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  21.34 +/- 1.30   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.90 +/- 1.60   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.07 +/- 0.06  99.986% * 99.7938% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.20 +/- 1.04   0.009% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.49 +/- 0.20   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  11.46 +/- 0.63   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - QG2   VAL  108   2.61 +/- 0.49  95.845% * 99.8175% (1.00  10.0 10.00   3.30  62.13) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.10 +/- 0.42   4.126% *  0.0308% (0.31   1.0  1.00   0.02   7.68) =   0.001%
          HA    ALA   47 - QG2   VAL  108  11.88 +/- 1.48   0.013% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYSS  50 - QG2   VAL  108  11.91 +/- 1.54   0.013% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  15.73 +/- 1.54   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T HB    VAL  108 - QG2   VAL  108   2.13 +/- 0.01  99.837% * 98.6316% (1.00  10.0 10.00   3.00  62.13) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   6.71 +/- 0.97   0.156% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  11.67 +/- 1.11   0.004% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.58 +/- 1.35   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  15.68 +/- 0.85   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  16.46 +/- 1.09   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.76 +/- 0.43   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  19.42 +/- 1.32   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.98 +/- 1.81   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.07 +/- 0.06  99.986% * 99.8607% (1.00  10.0 10.00   3.44  62.13) = 100.000%  kept
          QD1   LEU   40 - QG2   VAL  108  10.56 +/- 0.64   0.006% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  11.75 +/- 1.11   0.003% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  11.93 +/- 1.01   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.82 +/- 1.67   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.15:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.998% * 98.9563% (1.00  10.0 10.00   2.00   9.15) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  15.77 +/- 2.32   0.000% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  12.72 +/- 1.01   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  14.78 +/- 1.26   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.85 +/- 0.89   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.15:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.604% * 97.8789% (1.00  10.0 10.00   2.00   9.15) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.41 +/- 0.04   0.393% *  0.0302% (0.31   1.0  1.00   0.02   7.68) =   0.000%
        T HA    CYSS  50 - HA2   GLY  109  11.63 +/- 2.29   0.002% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  15.85 +/- 2.53   0.000% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  13.28 +/- 1.97   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  22.86 +/- 1.00   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.39 +/- 0.63   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.12 +/- 0.01  99.991% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  11.95 +/- 2.42   0.005% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  14.24 +/- 1.53   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  15.59 +/- 1.75   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  17.26 +/- 1.79   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  19.44 +/- 1.94   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  19.37 +/- 2.77   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.16 +/- 2.20   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  21.58 +/- 2.03   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.25 +/- 1.20   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.18 +/- 1.72   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.25 +/- 1.69   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T HA    ALA  110 - QB    ALA  110   2.12 +/- 0.01  99.001% * 98.8162% (1.00  10.0 10.00   1.31   9.59) =  99.999%  kept
          HA    PHE   55 - QB    ALA  110   6.43 +/- 3.92   0.705% *  0.0857% (0.87   1.0  1.00   0.02   0.49) =   0.001%
          HA    VAL  107 - QB    ALA  110   7.26 +/- 0.97   0.207% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  11.95 +/- 2.42   0.005% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   7.92 +/- 1.46   0.055% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61   9.78 +/- 1.36   0.016% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  11.33 +/- 1.21   0.005% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  12.31 +/- 0.69   0.003% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.21 +/- 0.71   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.34 +/- 1.04   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  18.32 +/- 1.29   0.000% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  16.61 +/- 1.05   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.5:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.67 +/- 0.20  96.799% * 98.9314% (1.00  10.0 10.00   7.98 315.48) =  99.998%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.95 +/- 0.58   3.181% *  0.0560% (0.57   1.0  1.00   0.02   2.56) =   0.002%
          HB    ILE  119 - HA    LYS+ 111  11.63 +/- 1.06   0.017% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  25.49 +/- 1.36   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.38 +/- 2.78   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  23.44 +/- 3.27   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  24.88 +/- 1.29   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.26 +/- 1.78   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.73 +/- 1.19   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  30.96 +/- 1.06   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.02 +/- 1.09   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.24 +/- 1.34   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.56 +/- 0.20  99.230% * 99.2615% (1.00  10.0 10.00   7.31 315.48) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 111  10.05 +/- 1.57   0.610% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.07 +/- 1.65   0.039% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  14.85 +/- 0.87   0.021% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  14.61 +/- 1.10   0.026% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.21 +/- 0.94   0.046% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  15.68 +/- 1.07   0.016% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.04 +/- 0.99   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  21.84 +/- 1.47   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.05 +/- 1.53   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.71 +/- 1.74   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  26.78 +/- 1.24   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.56 +/- 1.54   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.37 +/- 0.39  97.530% * 99.3524% (1.00  10.0 10.00   7.31 315.48) =  99.999%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.36 +/- 1.32   2.467% *  0.0373% (0.38   1.0  1.00   0.02  27.98) =   0.001%
        T HG2   LYS+  74 - HA    LYS+ 111  18.18 +/- 0.85   0.001% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  16.36 +/- 1.07   0.002% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.27 +/- 1.37   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.31 +/- 1.59   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.32 +/- 1.75   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.19 +/- 1.55   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.05 +/- 0.44  98.295% * 98.3525% (1.00 10.00   6.21 315.48) =  99.998%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.28 +/- 1.93   1.482% *  0.0853% (0.87  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 111  11.43 +/- 1.59   0.100% *  0.0964% (0.98  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  10.89 +/- 1.18   0.111% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  21.72 +/- 1.49   0.001% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.61 +/- 1.04   0.003% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.17 +/- 1.03   0.004% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  21.19 +/- 1.92   0.002% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  21.54 +/- 1.08   0.001% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  28.07 +/- 1.63   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.86 +/- 0.95   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.13 +/- 0.21  99.511% * 98.5544% (1.00 10.00   6.21 315.48) = 100.000%  kept
          QB    ALA   57 - HA    LYS+ 111  10.90 +/- 1.47   0.369% *  0.0983% (1.00  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.61 +/- 1.04   0.014% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  14.10 +/- 0.91   0.070% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  26.71 +/- 1.68   0.002% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  18.09 +/- 1.09   0.015% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  18.36 +/- 1.27   0.016% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.86 +/- 0.95   0.004% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.82 +/- 0.52  99.988% * 99.8490% (1.00 10.00   5.62 315.48) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.83 +/- 0.71   0.012% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  23.40 +/- 1.58   0.001% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.5:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.67 +/- 0.20  99.982% * 99.7221% (1.00  10.0 10.00   7.98 315.48) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.58 +/- 1.60   0.017% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  25.49 +/- 1.36   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  23.90 +/- 1.27   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.71 +/- 0.08  99.651% * 98.9173% (1.00  10.0 10.00   7.31 315.48) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.65 +/- 0.15   0.204% *  0.0197% (0.20   1.0  1.00   0.02  48.16) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111  11.09 +/- 1.49   0.033% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.17 +/- 1.97   0.008% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  11.06 +/- 1.17   0.027% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  15.22 +/- 1.22   0.004% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  14.03 +/- 1.26   0.006% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  12.15 +/- 0.82   0.014% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  12.75 +/- 1.13   0.011% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  13.81 +/- 0.82   0.006% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  15.85 +/- 0.97   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.20 +/- 1.19   0.001% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.38 +/- 1.36   0.004% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  13.38 +/- 0.68   0.007% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  15.46 +/- 0.50   0.003% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  19.04 +/- 2.14   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.08 +/- 0.71   0.002% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.10 +/- 1.44   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  26.00 +/- 1.85   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  12.91 +/- 0.95   0.009% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.51 +/- 2.41   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  17.02 +/- 0.61   0.002% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.27 +/- 1.95   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  17.38 +/- 1.35   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  21.88 +/- 1.94   0.000% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.60 +/- 2.22   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.5:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   3.00 +/- 0.04  90.629% * 98.4912% (1.00  10.0 10.00   7.29 315.48) =  99.999%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.78 +/- 1.27   0.807% *  0.0370% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   5.26 +/- 0.78   5.590% *  0.0039% (0.04   1.0  1.00   0.02  15.00) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   7.11 +/- 1.42   1.505% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   GLN   30   6.46 +/- 0.94   1.357% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30   9.64 +/- 0.92   0.096% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.85 +/- 1.17   0.002% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  16.04 +/- 1.62   0.005% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.96 +/- 2.08   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  15.85 +/- 0.87   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.41 +/- 2.01   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  25.97 +/- 1.45   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.61 +/- 1.22   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.91 +/- 1.88   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.10 +/- 2.43   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  26.53 +/- 2.36   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.5:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.52 +/- 0.59  84.763% * 97.6852% (1.00  10.0 10.00   6.62 315.48) =  99.997%  kept
          HB2   LEU   73 - HG3   GLN   30   4.23 +/- 1.07  15.036% *  0.0176% (0.18   1.0  1.00   0.02   8.04) =   0.003%
          HG3   PRO   93 - HB2   LYS+ 111   9.57 +/- 1.94   0.091% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111   9.51 +/- 1.87   0.079% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111  12.42 +/- 1.22   0.009% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.29 +/- 2.02   0.001% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.17 +/- 1.28   0.002% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  18.03 +/- 0.98   0.001% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  15.55 +/- 0.54   0.002% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  19.41 +/- 1.40   0.001% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.15 +/- 1.15   0.001% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.87 +/- 1.79   0.002% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  20.06 +/- 2.45   0.001% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  21.59 +/- 1.56   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.51 +/- 0.93   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.78 +/- 0.89   0.007% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  27.10 +/- 2.23   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  18.05 +/- 1.13   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  27.27 +/- 1.54   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.14 +/- 0.91   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.94 +/- 1.16   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  24.27 +/- 1.80   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.5:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.06 +/- 0.24  96.195% * 98.0752% (1.00  10.0 10.00   6.62 315.48) =  99.993%  kept
        T QD    LYS+  33 - HG3   GLN   30   6.36 +/- 1.10   3.559% *  0.1768% (0.18   1.0 10.00   0.02   0.16) =   0.007%
          QB    ALA   57 - HB2   LYS+ 111  12.19 +/- 1.22   0.031% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30   9.41 +/- 1.03   0.150% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  12.72 +/- 1.63   0.026% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.15 +/- 1.15   0.002% *  0.2446% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.14 +/- 1.37   0.004% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  26.54 +/- 2.04   0.000% *  0.8796% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.87 +/- 1.79   0.005% *  0.0492% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  19.02 +/- 1.39   0.002% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  16.94 +/- 1.16   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.78 +/- 0.89   0.020% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  27.61 +/- 1.80   0.000% *  0.1971% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.94 +/- 1.16   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  24.77 +/- 1.99   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  21.76 +/- 2.05   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.5:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.18 +/- 0.83  82.315% * 99.6189% (1.00 10.00   6.06 315.48) =  99.998%  kept
          HB2   CYS   21 - HG3   GLN   30   4.97 +/- 1.28  17.646% *  0.0113% (0.11  1.00   0.02   0.02) =   0.002%
          HB2   PHE   45 - HB2   LYS+ 111  14.20 +/- 0.93   0.018% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  13.86 +/- 1.04   0.020% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  24.56 +/- 1.61   0.001% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  23.72 +/- 1.81   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.56 +/- 0.20  99.882% * 99.9354% (1.00  10.0 10.00   7.31 315.48) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  11.65 +/- 1.90   0.118% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.4:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.71 +/- 0.08  82.196% * 98.9314% (1.00  10.0 10.00   7.31 315.48) =  99.988%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.34 +/- 1.45  17.795% *  0.0560% (0.57   1.0  1.00   0.02   2.56) =   0.012%
          HB    ILE  119 - HG2   LYS+ 111  12.95 +/- 1.37   0.007% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  26.00 +/- 1.85   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  25.54 +/- 3.37   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  24.37 +/- 3.91   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.23 +/- 2.35   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  26.52 +/- 1.77   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  24.60 +/- 1.80   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  31.01 +/- 1.51   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.31 +/- 1.75   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.43 +/- 2.46   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.5:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.989% * 98.1828% (1.00  10.0 10.00   6.98 315.48) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   9.31 +/- 1.59   0.011% *  0.0368% (0.38   1.0  1.00   0.02  27.98) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  15.42 +/- 1.74   0.000% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.35 +/- 1.18   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.72 +/- 2.69   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.62 +/- 2.10   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.69 +/- 2.32   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.20 +/- 2.13   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.89 +/- 0.13  99.354% * 97.1375% (1.00  10.0 10.00   6.21 315.48) =  99.996%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111   9.33 +/- 2.11   0.465% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   93 - HG2   LYS+ 111   9.97 +/- 1.85   0.154% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 111  12.25 +/- 1.08   0.020% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.72 +/- 2.75   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  20.31 +/- 2.46   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.01 +/- 1.34   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.54 +/- 1.33   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  21.97 +/- 1.66   0.001% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.62 +/- 2.52   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.47 +/- 1.12   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.30 +/- 0.04  99.993% * 97.8296% (1.00  10.0 10.00   6.21 315.48) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  13.12 +/- 1.17   0.003% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  19.61 +/- 1.57   0.000% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.15 +/- 1.63   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.54 +/- 1.33   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  27.09 +/- 2.14   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.02 +/- 1.44   0.000% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.47 +/- 1.12   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   3.10 +/- 0.15  99.987% * 99.8490% (1.00  10.0 10.00   5.62 315.48) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.15 +/- 1.01   0.013% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  23.98 +/- 1.79   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.5:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.37 +/- 0.39  99.960% * 99.8218% (1.00  10.0 10.00   7.31 315.48) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  10.46 +/- 2.23   0.036% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  18.18 +/- 0.85   0.001% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  14.79 +/- 1.10   0.003% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.5:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   3.00 +/- 0.04  90.439% * 98.2440% (1.00  10.0 10.00   7.29 315.48) =  99.994%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.91 +/- 0.99   8.924% *  0.0556% (0.57   1.0  1.00   0.02   2.56) =   0.006%
        T HB    ILE   19 - HG2   LYS+  74   7.75 +/- 0.79   0.385% *  0.0511% (0.05   1.0 10.00   0.02   6.31) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74   9.64 +/- 0.92   0.095% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.84 +/- 1.21   0.054% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.93 +/- 1.27   0.017% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.85 +/- 1.17   0.002% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  24.44 +/- 1.31   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  10.56 +/- 0.74   0.053% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  25.97 +/- 1.45   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.16 +/- 1.30   0.010% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.49 +/- 3.18   0.001% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.38 +/- 0.71   0.005% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.42 +/- 3.66   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.27 +/- 1.27   0.004% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.12 +/- 2.02   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  26.09 +/- 1.48   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  18.34 +/- 1.73   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.03 +/- 1.96   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  16.85 +/- 1.29   0.003% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  31.02 +/- 1.10   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.39 +/- 1.23   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.13 +/- 1.84   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.35 +/- 0.77   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.5:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.055% * 98.9181% (1.00  10.0 10.00   6.98 315.48) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   4.46 +/- 0.87   0.895% *  0.0077% (0.08   1.0  1.00   0.02   6.13) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111  10.76 +/- 1.37   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.22 +/- 0.96   0.028% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  10.26 +/- 1.06   0.003% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.31 +/- 1.90   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74   8.89 +/- 1.24   0.008% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  13.68 +/- 1.07   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.89 +/- 1.46   0.002% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.56 +/- 1.03   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  10.13 +/- 0.90   0.003% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.23 +/- 0.94   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  15.29 +/- 1.02   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.35 +/- 1.18   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.04 +/- 1.02   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  14.76 +/- 0.63   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  19.90 +/- 1.28   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.69 +/- 1.25   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  19.86 +/- 1.53   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.68 +/- 0.87   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.71 +/- 0.99   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.76 +/- 2.19   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  14.84 +/- 0.52   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  26.76 +/- 1.45   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.67 +/- 1.95   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.72 +/- 1.47   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.5:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.69 +/- 0.22  99.043% * 96.7411% (1.00  10.0 10.00   5.40 315.48) =  99.999%  kept
        T QD    LYS+ 106 - HG3   LYS+ 111  10.19 +/- 1.56   0.108% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG3   LYS+ 111   9.16 +/- 1.85   0.184% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.73 +/- 0.46   0.521% *  0.0093% (0.10   1.0  1.00   0.02  40.88) =   0.000%
          HB3   MET   92 - HG3   LYS+ 111  11.69 +/- 1.40   0.023% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74   9.89 +/- 0.80   0.050% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.29 +/- 2.33   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.17 +/- 2.12   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  10.88 +/- 1.46   0.032% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.50 +/- 0.51   0.003% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.66 +/- 1.99   0.014% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.23 +/- 1.34   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.04 +/- 1.20   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.28 +/- 0.96   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.35 +/- 1.04   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.45 +/- 1.29   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  21.95 +/- 1.28   0.000% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.14 +/- 2.05   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.07 +/- 0.80   0.015% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.39 +/- 0.90   0.000% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.55 +/- 0.86   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.31 +/- 1.60   0.001% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.908, support = 5.41, residual support = 302.6:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.90 +/- 0.11  44.373% * 89.7666% (1.00  10.0 10.00   5.40 315.48) =  89.950%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.79 +/- 0.23  55.537% *  8.0133% (0.09  10.0 10.00   5.54 187.60) =  10.050%  kept
          QB    ALA   57 - HG3   LYS+ 111  12.29 +/- 1.44   0.009% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   9.85 +/- 1.27   0.053% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.19 +/- 1.36   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.03 +/- 1.31   0.004% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.66 +/- 1.99   0.007% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.04 +/- 1.20   0.000% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.65 +/- 1.26   0.003% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.16 +/- 1.79   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.21 +/- 1.38   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.95 +/- 1.10   0.000% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.07 +/- 0.80   0.009% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.55 +/- 0.86   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.88 +/- 1.89   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.90 +/- 1.53   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.5:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.30 +/- 0.51  99.351% * 99.7265% (1.00  10.0 10.00   5.44 315.48) = 100.000%  kept
          HB2   CYS   21 - HG2   LYS+  74   6.78 +/- 1.02   0.436% *  0.0060% (0.06   1.0  1.00   0.02  10.02) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   7.45 +/- 0.58   0.207% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  13.96 +/- 0.83   0.006% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.29 +/- 1.10   0.001% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  23.82 +/- 1.46   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.05 +/- 0.44  99.940% * 99.4172% (1.00 10.00   6.21 315.48) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  11.62 +/- 2.16   0.052% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.61 +/- 1.04   0.003% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  21.72 +/- 1.49   0.001% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.26 +/- 1.45   0.004% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  28.07 +/- 1.63   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.05 +/- 1.83   0.000% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  30.97 +/- 0.70   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.5:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.52 +/- 0.59  86.817% * 97.9440% (1.00  10.0 10.00   6.62 315.48) =  99.997%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.98 +/- 1.03   3.088% *  0.0555% (0.57   1.0  1.00   0.02   2.56) =   0.002%
          HB2   GLN   17 - QD    LYS+  65   9.06 +/- 3.09   1.579% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  38   4.38 +/- 1.03   7.720% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.70 +/- 1.87   0.208% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.78 +/- 1.81   0.376% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.46 +/- 1.38   0.082% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  10.99 +/- 1.77   0.029% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.29 +/- 2.02   0.001% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  18.03 +/- 0.98   0.001% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.10 +/- 1.47   0.008% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.87 +/- 1.79   0.002% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.15 +/- 1.15   0.001% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  12.85 +/- 1.50   0.013% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  15.55 +/- 0.54   0.003% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  15.59 +/- 1.62   0.005% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  11.80 +/- 1.31   0.021% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  13.82 +/- 2.29   0.009% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  27.27 +/- 1.54   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  14.99 +/- 1.39   0.005% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  18.95 +/- 1.16   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  13.88 +/- 1.13   0.007% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.48 +/- 0.84   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  19.93 +/- 1.89   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.07 +/- 0.94   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  18.35 +/- 2.53   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.08 +/- 0.82   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  26.19 +/- 2.99   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  27.30 +/- 1.33   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.78 +/- 1.08   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.72 +/- 0.53   0.006% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  27.07 +/- 1.89   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.10 +/- 2.23   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  25.11 +/- 3.55   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  19.06 +/- 2.32   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.54 +/- 0.58   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.74 +/- 1.36   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  23.91 +/- 1.07   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.22 +/- 1.66   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  20.05 +/- 1.30   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  32.41 +/- 1.18   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.21 +/- 0.96   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  26.66 +/- 1.32   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  25.19 +/- 2.33   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.81 +/- 1.89   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.76 +/- 1.23   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.92 +/- 1.29   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.02 +/- 2.39   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.873, support = 6.14, residual support = 302.2:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.89 +/- 0.13  27.660% * 90.8110% (1.00  10.0 10.00   6.21 315.48) =  86.481%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.44 +/- 0.17  71.740% *  5.4729% (0.06  10.0 10.00   5.75 217.50) =  13.518%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.39 +/- 1.10   0.310% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+ 102   8.36 +/- 1.45   0.078% *  0.2129% (0.23   1.0 10.00   0.02   1.81) =   0.001%
        T HB3   PRO   93 - HD2   LYS+ 111  12.24 +/- 1.57   0.007% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  12.55 +/- 1.68   0.006% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.87 +/- 1.05   0.093% *  0.0106% (0.12   1.0  1.00   0.02   2.57) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.47 +/- 0.66   0.052% *  0.0116% (0.13   1.0  1.00   0.02   1.41) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  13.07 +/- 0.98   0.004% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.22 +/- 1.82   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  12.03 +/- 1.54   0.008% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  14.46 +/- 1.20   0.002% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.44 +/- 2.21   0.009% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  20.31 +/- 2.46   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.41 +/- 2.19   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.89 +/- 1.05   0.001% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.49 +/- 1.08   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.98 +/- 1.29   0.004% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.92 +/- 0.89   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.54 +/- 1.33   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.42 +/- 1.06   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.44 +/- 0.98   0.002% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.07 +/- 1.38   0.006% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.77 +/- 1.24   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  22.66 +/- 1.12   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.29 +/- 3.22   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.63 +/- 1.36   0.001% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.52 +/- 1.98   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.78 +/- 1.34   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.10 +/- 1.42   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.77 +/- 1.83   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.38 +/- 1.24   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  19.08 +/- 1.51   0.000% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.76 +/- 4.39   0.001% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.59 +/- 1.07   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.94 +/- 1.51   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.62 +/- 2.52   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.06 +/- 1.54   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.48 +/- 1.48   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.39 +/- 0.77   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.28 +/- 0.97   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  22.39 +/- 1.68   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.64 +/- 1.08   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.61 +/- 1.53   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.56 +/- 1.01   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.91 +/- 0.65   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.64 +/- 0.56   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  19.42 +/- 1.07   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.64 +/- 1.00   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.38 +/- 0.85   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.99 +/- 0.78   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  25.01 +/- 0.71   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.5:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.69 +/- 0.22  96.862% * 98.1177% (1.00  10.0 10.00   5.40 315.48) =  99.999%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.32 +/- 1.96   2.138% *  0.0368% (0.38   1.0  1.00   0.02  27.98) =   0.001%
        T HG3   LYS+  99 - QD    LYS+ 102   8.41 +/- 1.57   0.299% *  0.0875% (0.09   1.0 10.00   0.02   1.81) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.01 +/- 1.09   0.569% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.66 +/- 1.99   0.013% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.35 +/- 1.04   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  16.97 +/- 1.58   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  14.61 +/- 1.75   0.006% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.17 +/- 2.12   0.001% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.72 +/- 1.17   0.034% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.04 +/- 1.20   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.84 +/- 0.90   0.029% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.99 +/- 2.25   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.45 +/- 1.29   0.001% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  13.20 +/- 2.52   0.018% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  14.76 +/- 1.22   0.005% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.43 +/- 1.25   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.28 +/- 1.20   0.004% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  14.84 +/- 1.27   0.004% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.57 +/- 2.40   0.004% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  15.42 +/- 1.67   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.39 +/- 0.90   0.000% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.14 +/- 2.05   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.88 +/- 1.61   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  22.22 +/- 1.17   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.92 +/- 1.81   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.42 +/- 1.04   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  20.24 +/- 1.24   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.54 +/- 1.00   0.002% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.29 +/- 1.70   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.69 +/- 1.61   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  29.23 +/- 1.72   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.24 +/- 0.11  99.996% * 99.2899% (1.00  10.0 10.00   4.97 315.48) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.38 +/- 0.73   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  19.70 +/- 2.00   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.58 +/- 1.02   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.64 +/- 1.51   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.57 +/- 1.07   0.000% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  17.44 +/- 2.25   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.43 +/- 1.16   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.99 +/- 1.88   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.24 +/- 1.71   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  19.15 +/- 0.86   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  22.26 +/- 0.79   0.000% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.13 +/- 0.21  99.789% * 98.7339% (1.00 10.00   6.21 315.48) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  12.58 +/- 1.99   0.177% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.61 +/- 1.04   0.014% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  26.71 +/- 1.68   0.002% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.26 +/- 1.45   0.018% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  26.45 +/- 1.28   0.002% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 315.4:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.06 +/- 0.24  76.601% * 96.6565% (1.00  10.0 10.00   6.62 315.48) =  99.971%  kept
        T HG3   GLN   30 - QD    LYS+  33   6.36 +/- 1.10   2.434% *  0.4216% (0.44   1.0 10.00   0.02   0.16) =   0.014%
          QB    GLU- 114 - HD3   LYS+ 111   5.02 +/- 1.27   9.668% *  0.0547% (0.57   1.0  1.00   0.02   2.56) =   0.007%
          QB    GLU-  15 - QD    LYS+  33   6.78 +/- 2.36   4.684% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE   19 - QD    LYS+  33   7.59 +/- 1.47   1.559% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   9.06 +/- 3.09   2.206% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD    LYS+  33   5.93 +/- 0.62   2.238% *  0.0193% (0.20   1.0  1.00   0.02   0.16) =   0.001%
          HB2   GLN   17 - QD    LYS+  33  11.45 +/- 2.21   0.065% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   9.70 +/- 1.87   0.262% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.83 +/- 1.75   0.024% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  10.99 +/- 1.77   0.054% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  13.86 +/- 1.97   0.013% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.46 +/- 1.38   0.091% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  13.72 +/- 1.64   0.013% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.87 +/- 1.79   0.004% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  13.07 +/- 1.05   0.015% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.15 +/- 1.15   0.001% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.79 +/- 1.40   0.011% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  13.82 +/- 2.29   0.018% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  26.54 +/- 2.04   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  11.80 +/- 1.31   0.030% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  27.61 +/- 1.80   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.48 +/- 0.84   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  21.99 +/- 1.23   0.001% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.74 +/- 3.30   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  25.58 +/- 3.91   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.22 +/- 1.66   0.003% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.55 +/- 2.20   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  21.68 +/- 2.43   0.001% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  28.06 +/- 1.62   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.22 +/- 1.66   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  25.19 +/- 2.33   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.57 +/- 1.32   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  26.90 +/- 1.63   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.60 +/- 2.47   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.92 +/- 1.29   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.5:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.30 +/- 0.04  99.815% * 96.9774% (1.00  10.0 10.00   6.21 315.48) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   8.07 +/- 1.04   0.082% *  0.0861% (0.89   1.0  1.00   0.02   0.67) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33   9.95 +/- 0.39   0.016% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.47 +/- 0.66   0.047% *  0.0201% (0.21   1.0  1.00   0.02   1.41) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  12.96 +/- 0.74   0.003% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.27 +/- 1.12   0.003% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  12.93 +/- 1.38   0.004% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  14.65 +/- 1.20   0.002% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.44 +/- 2.21   0.008% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  14.03 +/- 1.15   0.002% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.27 +/- 2.05   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  16.93 +/- 1.98   0.001% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.98 +/- 1.29   0.004% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  16.52 +/- 1.09   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.49 +/- 1.08   0.000% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.54 +/- 1.33   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  17.43 +/- 1.16   0.001% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  27.09 +/- 2.14   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.41 +/- 0.81   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  19.32 +/- 3.49   0.000% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  14.71 +/- 0.68   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  16.55 +/- 0.89   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  22.66 +/- 1.12   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  18.74 +/- 0.70   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.16 +/- 1.31   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.38 +/- 0.93   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.61 +/- 2.19   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.23 +/- 1.16   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.59 +/- 1.07   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.29 +/- 2.73   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  20.56 +/- 1.20   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.48 +/- 1.48   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  27.92 +/- 1.92   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.39 +/- 0.77   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  22.39 +/- 1.68   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.64 +/- 1.08   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  19.56 +/- 1.01   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.64 +/- 0.56   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.45 +/- 2.49   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.5:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.90 +/- 0.11  86.724% * 97.4498% (1.00  10.0 10.00   5.40 315.48) =  99.995%  kept
          HG    LEU   71 - QD    LYS+  33   5.02 +/- 1.40   9.407% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   71 - QD    LYS+  33   6.00 +/- 1.12   1.665% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  33   7.05 +/- 1.77   1.652% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111   9.53 +/- 1.82   0.469% *  0.0366% (0.38   1.0  1.00   0.02  27.98) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  14.03 +/- 1.31   0.008% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.66 +/- 1.99   0.016% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  16.80 +/- 1.67   0.003% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.59 +/- 1.18   0.010% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.95 +/- 1.10   0.001% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.04 +/- 1.20   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.16 +/- 1.79   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  13.20 +/- 2.52   0.023% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  18.86 +/- 0.96   0.001% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.43 +/- 1.25   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  14.84 +/- 1.27   0.006% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.57 +/- 2.40   0.006% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  15.42 +/- 1.67   0.005% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.85 +/- 2.76   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  22.22 +/- 1.17   0.000% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.15 +/- 2.02   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  27.20 +/- 2.20   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  27.23 +/- 2.41   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.80 +/- 2.00   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.50 +/- 0.11  99.972% * 98.5534% (1.00  10.0 10.00   4.97 315.48) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33  10.56 +/- 1.04   0.022% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  15.70 +/- 0.63   0.002% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.58 +/- 1.02   0.001% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  25.36 +/- 1.70   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  17.73 +/- 0.98   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.57 +/- 1.07   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  17.44 +/- 2.25   0.001% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  25.61 +/- 1.79   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.82 +/- 0.52  99.802% * 99.9354% (1.00 10.00   5.62 315.48) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111  10.19 +/- 2.22   0.198% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.5:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.18 +/- 0.83  90.806% * 98.9314% (1.00 10.00   6.06 315.48) =  99.994%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.00 +/- 0.94   9.137% *  0.0560% (0.57  1.00   0.02   2.56) =   0.006%
          HB    ILE  119 - QE    LYS+ 111  12.08 +/- 1.50   0.046% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  24.56 +/- 1.61   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  23.57 +/- 2.86   0.002% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.62 +/- 3.33   0.004% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.32 +/- 1.58   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  24.46 +/- 1.41   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.16 +/- 1.29   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  29.09 +/- 1.39   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.02 +/- 1.30   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.10 +/- 1.74   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.5:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   3.10 +/- 0.15  99.822% * 99.2615% (1.00  10.0 10.00   5.62 315.48) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111  11.00 +/- 1.64   0.088% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  13.13 +/- 1.34   0.026% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  14.70 +/- 1.66   0.012% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  15.26 +/- 0.92   0.008% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  12.92 +/- 1.22   0.025% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  14.77 +/- 1.34   0.011% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  17.96 +/- 1.54   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  20.77 +/- 1.67   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  18.92 +/- 1.54   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.04 +/- 2.10   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.20 +/- 1.48   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.33 +/- 1.81   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.5:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.30 +/- 0.51  96.656% * 99.3524% (1.00  10.0 10.00   5.44 315.48) =  99.999%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.33 +/- 1.83   3.337% *  0.0373% (0.38   1.0  1.00   0.02  27.98) =   0.001%
        T HG2   LYS+  74 - QE    LYS+ 111  18.29 +/- 1.10   0.001% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  15.39 +/- 1.59   0.004% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.35 +/- 1.56   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  22.65 +/- 2.07   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.30 +/- 1.63   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.52 +/- 1.63   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.24 +/- 0.11  99.889% * 98.3525% (1.00  10.0 10.00   4.97 315.48) = 100.000%  kept
          HG3   PRO   93 - QE    LYS+ 111   9.51 +/- 1.88   0.046% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  10.00 +/- 1.63   0.053% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 111  11.81 +/- 1.82   0.009% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  19.70 +/- 2.00   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  16.57 +/- 1.58   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.58 +/- 1.02   0.000% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.76 +/- 2.24   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.99 +/- 1.88   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  21.00 +/- 1.30   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.52 +/- 1.43   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.5:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.50 +/- 0.11  99.981% * 98.5544% (1.00  10.0 10.00   4.97 315.48) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.76 +/- 1.50   0.011% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.58 +/- 1.02   0.001% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  13.59 +/- 1.51   0.005% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  25.36 +/- 1.70   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  17.41 +/- 1.52   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.48 +/- 1.26   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.52 +/- 1.43   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.6:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.87 +/- 0.18  99.770% * 98.3538% (1.00  10.0 10.00   6.00 231.65) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112  10.20 +/- 2.20   0.196% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  17.61 +/- 1.30   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.29 +/- 0.70   0.007% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  15.88 +/- 2.07   0.005% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  13.85 +/- 1.20   0.010% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  17.09 +/- 1.19   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.21 +/- 1.08   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  20.21 +/- 1.56   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.66 +/- 0.92   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.78 +/- 1.52   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.56 +/- 1.03   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  27.77 +/- 1.42   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.90 +/- 1.72   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.6:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.81 +/- 0.65  99.953% * 99.8441% (1.00  10.0 10.00   6.08 231.65) = 100.000%  kept
          QG1   VAL   42 - HA    LYS+ 112  12.96 +/- 1.01   0.023% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HA    LYS+ 112  13.33 +/- 1.10   0.024% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.35 +/- 0.43  99.700% * 99.8009% (1.00  10.0 10.00   5.76 231.65) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  11.44 +/- 1.63   0.104% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.92 +/- 0.65   0.186% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  16.77 +/- 0.88   0.008% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  22.61 +/- 1.23   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.815, support = 6.05, residual support = 231.6:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.61 +/- 0.24  82.240% * 43.2573% (0.76  10.0 10.00   6.22 231.65) =  78.414%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   3.95 +/- 0.84  17.302% * 56.6026% (1.00   1.0 10.00   5.43 231.65) =  21.586%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.31 +/- 0.47   0.442% *  0.0212% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  11.25 +/- 0.77   0.015% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  17.95 +/- 1.32   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.59 +/- 1.41   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.6:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.87 +/- 0.18  99.883% * 98.8850% (1.00  10.0 10.00   6.00 231.65) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42  10.70 +/- 3.82   0.096% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  17.61 +/- 1.30   0.002% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  13.20 +/- 0.98   0.013% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.01 +/- 1.52   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  16.88 +/- 2.23   0.004% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1425 (1.37, 1.37, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 112 - HB2   LYS+ 112  (1.00)  kept
          HB    VAL   42 - HB    VAL   42  (0.80)  kept
 
    Peak 1426 (0.36, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 4.93, residual support = 121.6:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  82.115% * 40.6012% (0.70  10.0 10.00   4.37  87.61) =  76.379%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.77 +/- 0.18  17.882% * 57.6594% (1.00  10.0 10.00   6.74 231.65) =  23.621%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  14.92 +/- 1.72   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  14.29 +/- 1.31   0.001% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.29 +/- 0.36   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  19.06 +/- 2.18   0.000% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.54 +/- 0.29  99.681% * 98.8037% (1.00  10.0 10.00   5.76 231.65) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   8.04 +/- 0.96   0.186% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.68 +/- 2.21   0.030% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   9.17 +/- 0.61   0.068% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.31 +/- 0.95   0.016% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  20.08 +/- 2.07   0.001% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  13.21 +/- 0.69   0.007% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  12.08 +/- 0.64   0.011% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.88 +/- 1.26   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  24.31 +/- 1.70   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.775, support = 6.22, residual support = 231.6:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  96.300% * 42.8460% (0.76  10.0 10.00   6.22 231.65) =  95.468%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.41 +/- 0.55   3.493% * 56.0644% (1.00  10.0 10.00   6.13 231.65) =   4.531%  kept
          HB3   LEU   71 - HB    VAL   42   5.20 +/- 0.23   0.148% *  0.0468% (0.84   1.0  1.00   0.02   5.64) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.49 +/- 0.74   0.055% *  0.0210% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HB    VAL   42  10.36 +/- 0.42   0.002% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  12.85 +/- 1.09   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  19.62 +/- 2.13   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  20.06 +/- 2.09   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  14.14 +/- 0.48   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  19.76 +/- 1.88   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  19.77 +/- 1.56   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  24.91 +/- 2.36   0.000% *  0.0556% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.6:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.81 +/- 0.65  99.981% * 99.8459% (1.00  10.0 10.00   6.08 231.65) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  15.74 +/- 2.13   0.014% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  16.47 +/- 1.29   0.005% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 231.6:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.77 +/- 0.18  99.933% * 98.3538% (1.00  10.0 10.00   6.74 231.65) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112  11.03 +/- 1.90   0.045% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  19.06 +/- 2.18   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  16.14 +/- 2.67   0.006% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.34 +/- 1.13   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  14.98 +/- 1.94   0.006% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  18.06 +/- 1.54   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  21.47 +/- 2.40   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.27 +/- 0.92   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  20.31 +/- 1.55   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.66 +/- 1.82   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.55 +/- 1.20   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  29.10 +/- 2.39   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  29.62 +/- 2.17   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.6:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.988% * 99.8009% (1.00  10.0 10.00   6.98 231.65) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  12.60 +/- 2.50   0.010% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.41 +/- 0.97   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.73 +/- 1.40   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  23.69 +/- 1.75   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.877, support = 6.77, residual support = 231.6:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.73 +/- 0.27  58.622% * 43.2573% (0.76  10.0 10.00   6.98 231.65) =  52.120%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.92 +/- 0.19  41.156% * 56.6026% (1.00  10.0 10.00   6.53 231.65) =  47.880%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.19 +/- 0.67   0.214% *  0.0212% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  12.62 +/- 1.10   0.007% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  23.98 +/- 2.40   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  19.47 +/- 1.62   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.35 +/- 0.43  99.984% * 99.8459% (1.00  10.0 10.00   5.76 231.65) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  16.37 +/- 2.15   0.010% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.48 +/- 1.30   0.006% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.54 +/- 0.29  99.812% * 98.3538% (1.00  10.0 10.00   5.76 231.65) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112  11.55 +/- 1.94   0.176% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  20.08 +/- 2.07   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  17.12 +/- 2.44   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.98 +/- 1.18   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  15.84 +/- 1.87   0.004% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  18.40 +/- 1.38   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  22.40 +/- 2.14   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  18.01 +/- 0.89   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  21.08 +/- 1.32   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  22.50 +/- 1.73   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.32 +/- 1.42   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  30.13 +/- 2.29   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  30.53 +/- 2.14   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.6:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.999% * 99.8441% (1.00  10.0 10.00   6.98 231.65) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  13.82 +/- 1.46   0.001% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  14.99 +/- 1.59   0.000% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.937, support = 5.68, residual support = 231.6:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.40 +/- 0.12  67.636% * 56.6026% (1.00  10.0 10.00   5.55 231.65) =  73.333%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.75 +/- 0.24  32.183% * 43.2573% (0.76  10.0  1.00   6.03 231.65) =  26.667%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   6.95 +/- 0.73   0.178% *  0.0212% (0.38   1.0  1.00   0.02  27.98) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  13.06 +/- 0.89   0.003% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  19.96 +/- 1.37   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  25.02 +/- 2.25   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 231.6:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   3.95 +/- 0.84  99.952% * 99.8459% (1.00 10.00   5.43 231.65) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  16.52 +/- 2.23   0.028% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  17.11 +/- 2.07   0.020% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 231.6:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.41 +/- 0.55  99.067% * 98.3538% (1.00  10.0 10.00   6.13 231.65) =  99.999%  kept
          HB3   PRO   93 - HD2   LYS+ 112  11.97 +/- 2.40   0.824% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  20.06 +/- 2.09   0.006% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  16.30 +/- 2.75   0.040% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.58 +/- 1.25   0.009% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  15.93 +/- 2.08   0.031% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  22.52 +/- 2.36   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  18.95 +/- 1.59   0.006% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.53 +/- 1.44   0.009% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  21.36 +/- 1.33   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.83 +/- 1.75   0.002% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  27.73 +/- 1.52   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  30.07 +/- 2.35   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  30.12 +/- 2.52   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.53, residual support = 231.6:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.92 +/- 0.19  99.980% * 99.8441% (1.00  10.0 10.00   6.53 231.65) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  14.24 +/- 1.48   0.012% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  14.99 +/- 1.65   0.008% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 231.6:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.40 +/- 0.12  99.985% * 99.8009% (1.00  10.0 10.00   5.55 231.65) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.36 +/- 2.25   0.007% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.41 +/- 1.21   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.86 +/- 0.99   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  24.63 +/- 1.68   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.2:
    * O T QB    ASP- 113 - HA    ASP- 113   2.51 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.21) = 100.000%  kept
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.2:
    * O T HA    ASP- 113 - QB    ASP- 113   2.51 +/- 0.09  99.955% * 99.1713% (1.00  10.0 10.00   2.00  14.21) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.38 +/- 1.03   0.014% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.40 +/- 1.40   0.028% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  14.97 +/- 0.45   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.57 +/- 1.24   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  26.88 +/- 1.36   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.938, support = 3.22, residual support = 47.9:
    * O T QB    GLU- 114 - HA    GLU- 114   2.24 +/- 0.10  76.042% * 63.8790% (0.97  10.0 10.00   3.12  43.64) =  96.472%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.80 +/- 0.16  20.704% *  6.0284% (0.09  10.0 10.00   6.19 227.93) =   2.479%  kept
        T QB    GLU- 114 - HA    LEU  115   4.35 +/- 0.36   1.795% * 29.3979% (0.44   1.0 10.00   4.76  15.68) =   1.048%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.20 +/- 1.21   0.922% *  0.0481% (0.73   1.0  1.00   0.02   2.56) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.62 +/- 0.12   0.309% *  0.1310% (0.20   1.0 10.00   0.02  15.68) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.62 +/- 1.38   0.208% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.13 +/- 1.54   0.015% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.59 +/- 1.91   0.002% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.23 +/- 2.26   0.000% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.08 +/- 2.55   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.12 +/- 1.08   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.08 +/- 1.18   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.13 +/- 1.60   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  20.15 +/- 1.43   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.26 +/- 1.64   0.000% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  23.47 +/- 1.64   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.32 +/- 1.99   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.55 +/- 1.66   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  31.13 +/- 1.02   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  28.00 +/- 1.14   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.05 +/- 1.30   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  24.65 +/- 1.29   0.000% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.863, support = 3.57, residual support = 36.6:
    * O T QG    GLU- 114 - HA    GLU- 114   3.18 +/- 0.23  57.857% * 68.1764% (1.00  10.0 10.00   3.31  43.64) =  74.922%  kept
        T QG    GLU- 114 - HA    LEU  115   3.82 +/- 1.17  42.082% * 31.3756% (0.46   1.0 10.00   4.35  15.68) =  25.078%  kept
          HG2   MET   92 - HA    LEU  115  12.59 +/- 1.76   0.028% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU- 114  15.05 +/- 1.97   0.009% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  12.85 +/- 0.99   0.016% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.22 +/- 1.46   0.007% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.19 +/- 1.10   0.001% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  25.47 +/- 1.13   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.74 +/- 1.45   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.99 +/- 1.84   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  32.72 +/- 1.02   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  29.71 +/- 1.18   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  34.09 +/- 2.02   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.92 +/- 1.87   0.000% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.96, support = 3.15, residual support = 43.2:
    * O T HA    GLU- 114 - QB    GLU- 114   2.24 +/- 0.10  97.575% * 59.0968% (0.97  10.0 10.00   3.12  43.64) =  98.329%  kept
        T HA    LEU  115 - QB    GLU- 114   4.35 +/- 0.36   2.414% * 40.5940% (0.66   1.0 10.00   4.76  15.68) =   1.671%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.11 +/- 1.09   0.002% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - QB    GLU- 114  11.09 +/- 1.02   0.009% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.19 +/- 1.78   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  21.81 +/- 1.09   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  21.67 +/- 1.21   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  24.90 +/- 1.01   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.59, residual support = 43.6:
    * O T QG    GLU- 114 - QB    GLU- 114   2.10 +/- 0.05  99.992% * 99.1187% (0.96  10.0 10.00   3.59  43.64) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  11.87 +/- 1.59   0.005% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.15 +/- 1.12   0.004% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  21.34 +/- 1.11   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  28.01 +/- 1.09   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  28.04 +/- 1.33   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.54 +/- 1.77   0.000% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.894, support = 3.66, residual support = 34.3:
    * O T HA    GLU- 114 - QG    GLU- 114   3.18 +/- 0.23  57.853% * 59.1519% (1.00  10.0 10.00   3.31  43.64) =  66.698%  kept
        T HA    LEU  115 - QG    GLU- 114   3.82 +/- 1.17  42.051% * 40.6319% (0.69   1.0 10.00   4.35  15.68) =  33.302%  kept
          HA    CYSS  53 - QG    GLU- 114  10.11 +/- 1.39   0.080% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.08 +/- 1.51   0.014% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.58 +/- 1.63   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.81 +/- 1.29   0.001% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.53 +/- 1.26   0.001% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.56 +/- 1.25   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.958, support = 3.54, residual support = 42.8:
    * O T QB    GLU- 114 - QG    GLU- 114   2.10 +/- 0.05  63.751% * 94.7930% (0.96  10.0 10.00   3.59  43.64) =  97.949%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.01 +/- 1.45  32.861% *  3.8496% (0.72   1.0  1.00   1.08   2.56) =   2.050%  kept
          HB2   LEU  115 - QG    GLU- 114   4.01 +/- 1.03   3.383% *  0.0194% (0.20   1.0  1.00   0.02  15.68) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  11.42 +/- 2.03   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  18.50 +/- 2.39   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  26.28 +/- 1.19   0.000% *  0.9292% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  19.61 +/- 1.40   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.78 +/- 1.81   0.000% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  21.17 +/- 1.88   0.000% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.53 +/- 2.02   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  20.97 +/- 1.49   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.592, support = 5.38, residual support = 179.8:
    * O T HB2   LEU  115 - HA    LEU  115   2.80 +/- 0.16  17.280% * 63.8902% (0.84  10.0 10.00   6.19 227.93) =  66.851%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.24 +/- 0.10  63.013% *  5.3954% (0.07  10.0 10.00   3.12  43.64) =  20.587%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.81 +/- 0.26  17.840% *  9.9598% (0.13  10.0  1.00   4.76 168.92) =  10.759%  kept
        T QB    GLU- 114 - HA    LEU  115   4.35 +/- 0.36   1.508% * 19.7195% (0.26   1.0 10.00   4.76  15.68) =   1.800%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.62 +/- 0.12   0.257% *  0.1748% (0.23   1.0 10.00   0.02  15.68) =   0.003%
          HG3   PRO   58 - HA    ARG+  54   7.70 +/- 1.33   0.076% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.45 +/- 1.08   0.005% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.13 +/- 1.54   0.012% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.11 +/- 1.09   0.001% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  15.00 +/- 2.74   0.001% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  14.73 +/- 2.25   0.002% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.59 +/- 1.91   0.002% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.37 +/- 0.95   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  16.32 +/- 1.39   0.000% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.23 +/- 2.26   0.000% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.94 +/- 1.40   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.12 +/- 1.08   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  18.64 +/- 2.85   0.000% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  19.30 +/- 2.15   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.38 +/- 0.99   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.08 +/- 2.55   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.73 +/- 1.67   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  23.32 +/- 1.41   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.08 +/- 1.18   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.38, support = 6.28, residual support = 227.9:
      O T HB3   LEU  115 - HA    LEU  115   2.27 +/- 0.09  88.022% * 25.2077% (0.26  10.0 10.00   6.32 227.93) =  73.887%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.40 +/- 0.44  11.068% * 70.8443% (0.72  10.0 10.00   6.16 227.93) =  26.111%  kept
        T HG    LEU  115 - HA    GLU- 114   6.79 +/- 0.74   0.178% *  0.1938% (0.20   1.0 10.00   0.02  15.68) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.29 +/- 0.28   0.210% *  0.0690% (0.07   1.0 10.00   0.02  15.68) =   0.000%
          QB    ALA  120 - HA    LEU  115   7.10 +/- 0.47   0.102% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.29 +/- 1.53   0.013% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   6.93 +/- 0.45   0.116% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.04 +/- 1.60   0.078% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.04 +/- 0.93   0.008% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   7.46 +/- 2.27   0.189% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  16.08 +/- 1.65   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  15.38 +/- 3.15   0.002% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  14.88 +/- 1.87   0.001% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  14.43 +/- 1.99   0.004% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.40 +/- 1.29   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  19.72 +/- 1.32   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.16 +/- 1.51   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  23.62 +/- 1.94   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.90 +/- 1.42   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.07 +/- 1.36   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.84 +/- 1.07   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.26 +/- 1.32   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  15.24 +/- 1.15   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  22.84 +/- 1.64   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  22.78 +/- 1.26   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  18.62 +/- 1.81   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  18.80 +/- 3.35   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  20.19 +/- 1.86   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.97 +/- 1.39   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.33 +/- 1.44   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.827, support = 6.16, residual support = 225.1:
    *   T QD1   LEU  115 - HA    LEU  115   3.83 +/- 0.43  92.673% * 78.0672% (0.84 10.00   6.19 227.93) =  98.680%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.62 +/- 0.56   4.475% * 21.3596% (0.23 10.00   4.45  15.68) =   1.304%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.12 +/- 1.12   2.735% *  0.4377% (0.47 10.00   0.02   0.02) =   0.016%
          QG1   VAL   75 - HA    LEU  115  14.23 +/- 1.03   0.043% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    ARG+  54  13.66 +/- 1.07   0.059% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  16.75 +/- 0.82   0.016% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.798, support = 7.39, residual support = 225.1:
    *   T QD2   LEU  115 - HA    LEU  115   3.25 +/- 0.36  89.363% * 77.6784% (0.81 10.00   7.43 227.93) =  98.676%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.76 +/- 0.49   4.360% * 21.2532% (0.22 10.00   4.45  15.68) =   1.317%  kept
          QD1   LEU   63 - HA    LEU  115   6.06 +/- 1.15   4.277% *  0.0761% (0.79  1.00   0.02   0.02) =   0.005%
        T QD2   LEU  115 - HA    ARG+  54   9.68 +/- 1.25   0.167% *  0.4355% (0.45 10.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    LEU  115   7.60 +/- 1.44   1.230% *  0.0302% (0.31  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114   9.45 +/- 1.29   0.237% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  10.90 +/- 1.35   0.091% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  12.12 +/- 2.07   0.048% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  10.58 +/- 1.66   0.126% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  14.59 +/- 1.41   0.013% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  12.79 +/- 1.67   0.034% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  13.03 +/- 1.25   0.026% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  17.70 +/- 1.22   0.004% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  16.79 +/- 1.44   0.005% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  17.10 +/- 1.52   0.005% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  17.28 +/- 1.07   0.005% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  19.12 +/- 1.09   0.002% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.74 +/- 1.65   0.002% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.23 +/- 1.03   0.002% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  19.57 +/- 0.98   0.002% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  21.06 +/- 1.12   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 227.9:
    * O T HA    LEU  115 - HB2   LEU  115   2.80 +/- 0.16  98.358% * 98.0930% (0.84  10.0 10.00   6.19 227.93) =  99.993%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.62 +/- 0.12   1.605% *  0.4006% (0.34   1.0 10.00   0.02  15.68) =   0.007%
        T HA    ARG+  54 - HB2   LEU  115  11.45 +/- 1.08   0.034% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.83 +/- 0.67   0.002% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  21.38 +/- 1.57   0.001% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.28 +/- 1.24   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.99 +/- 1.00   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  23.31 +/- 1.93   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  30.29 +/- 1.04   0.000% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1463 (1.98, 1.98, 42.01 ppm):
    1 diagonal assignment:
    *     HB2   LEU  115 - HB2   LEU  115  (1.00)  kept
 
    Peak 1464 (1.48, 1.98, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.402, support = 6.15, residual support = 227.9:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  93.341% * 25.8976% (0.31  10.0 10.00   6.14 227.93) =  83.326%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.80 +/- 0.25   6.646% * 72.7830% (0.87  10.0 10.00   6.20 227.93) =  16.674%  kept
          QB    ALA  120 - HB2   LEU  115   8.25 +/- 0.51   0.009% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  18.30 +/- 1.07   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.40 +/- 1.62   0.003% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  17.16 +/- 1.26   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  16.93 +/- 2.69   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  17.52 +/- 1.29   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.70 +/- 1.54   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.63 +/- 1.49   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.9:
    * O T QD1   LEU  115 - HB2   LEU  115   2.44 +/- 0.23  99.998% * 99.9055% (1.00  10.0 10.00   6.00 227.93) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.84 +/- 1.11   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.9:
    * O T QD2   LEU  115 - HB2   LEU  115   2.66 +/- 0.45  99.145% * 99.5578% (0.97  10.0 10.00   7.24 227.93) =  99.999%  kept
          QD1   LEU   63 - HB2   LEU  115   7.28 +/- 1.01   0.674% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   LEU  115   9.02 +/- 1.23   0.166% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.19 +/- 1.37   0.008% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  15.97 +/- 1.19   0.004% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.43 +/- 1.43   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  20.01 +/- 0.85   0.001% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.16, residual support = 227.9:
    * O T HA    LEU  115 - HG    LEU  115   3.40 +/- 0.44  95.714% * 97.1402% (0.72  10.0 10.00   6.16 227.93) =  99.985%  kept
        T HA    GLU- 114 - HG    LEU  115   6.79 +/- 0.74   2.931% *  0.3967% (0.30   1.0 10.00   0.02  15.68) =   0.013%
        T HA    ARG+  54 - HG    LEU  115  11.29 +/- 1.53   0.167% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HG    LEU   40   8.44 +/- 0.85   0.745% *  0.0271% (0.20   1.0  1.00   0.02   0.11) =   0.000%
        T HA    LEU  115 - HG    LEU   40  14.88 +/- 1.87   0.021% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.71 +/- 1.21   0.298% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  14.70 +/- 5.15   0.048% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.07 +/- 1.36   0.008% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.18 +/- 1.14   0.028% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  16.57 +/- 1.48   0.008% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  22.84 +/- 1.64   0.001% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.14 +/- 0.61   0.025% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  24.01 +/- 1.53   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  21.99 +/- 2.01   0.002% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.11 +/- 1.24   0.001% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.18 +/- 1.74   0.001% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.63 +/- 1.04   0.001% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.47 +/- 1.22   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.2, residual support = 227.9:
    * O T HB2   LEU  115 - HG    LEU  115   2.80 +/- 0.25  97.913% * 98.2266% (0.87  10.0 10.00   6.20 227.93) =  99.998%  kept
          HG3   PRO   58 - HG    LEU  115   7.69 +/- 2.03   0.927% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HG    LEU   40   9.57 +/- 2.46   0.233% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU  115   6.41 +/- 0.61   0.756% *  0.0303% (0.27   1.0  1.00   0.02  15.68) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.88 +/- 2.28   0.009% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40   9.39 +/- 1.68   0.102% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  17.16 +/- 1.26   0.002% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.71 +/- 1.40   0.017% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  15.77 +/- 1.68   0.005% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.51 +/- 1.29   0.016% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  14.05 +/- 1.53   0.010% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  17.34 +/- 2.50   0.003% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.31 +/- 1.28   0.005% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.39 +/- 1.53   0.001% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.58 +/- 1.65   0.001% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  24.80 +/- 1.34   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.98, residual support = 227.9:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  99.996% * 99.5358% (0.87  10.0 10.00   5.98 227.93) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  14.50 +/- 1.22   0.001% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  14.96 +/- 1.36   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.91 +/- 0.80   0.001% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.18, residual support = 227.9:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  93.808% * 99.0740% (0.84  10.0 10.00   7.18 227.93) =  99.998%  kept
          QD1   LEU  104 - HG    LEU   40   4.33 +/- 1.29   5.670% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HG    LEU  115   6.31 +/- 1.03   0.233% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   7.95 +/- 1.33   0.079% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   7.82 +/- 1.25   0.062% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.12 +/- 1.20   0.111% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   8.39 +/- 1.07   0.032% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  13.86 +/- 1.54   0.001% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.80 +/- 1.29   0.001% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  15.50 +/- 1.32   0.001% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.35 +/- 1.40   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.44 +/- 1.75   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  16.32 +/- 1.72   0.001% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  20.24 +/- 1.32   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.825, support = 6.15, residual support = 223.8:
    *   T HA    LEU  115 - QD1   LEU  115   3.83 +/- 0.43  92.726% * 70.2377% (0.84 10.00   6.19 227.93) =  98.035%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.62 +/- 0.56   4.477% * 28.6837% (0.34 10.00   4.45  15.68) =   1.933%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.12 +/- 1.12   2.739% *  0.7762% (0.92 10.00   0.02   0.02) =   0.032%
          HA    ALA  124 - QD1   LEU  115  14.99 +/- 0.67   0.030% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  17.93 +/- 1.59   0.011% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.23 +/- 1.34   0.005% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  19.84 +/- 1.20   0.005% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  20.17 +/- 1.67   0.005% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  25.19 +/- 1.20   0.001% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.9:
    * O T HB2   LEU  115 - QD1   LEU  115   2.44 +/- 0.23  95.669% * 99.6279% (1.00  10.0 10.00   6.00 227.93) =  99.996%  kept
          HG3   PRO   58 - QD1   LEU  115   5.28 +/- 1.57   3.628% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU- 114 - QD1   LEU  115   5.92 +/- 0.56   0.640% *  0.0307% (0.31   1.0  1.00   0.02  15.68) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.28 +/- 1.08   0.044% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.83 +/- 1.82   0.007% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  12.92 +/- 1.38   0.007% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.16 +/- 1.96   0.003% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  16.17 +/- 1.32   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.78, support = 6.0, residual support = 227.9:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  65.732% * 72.7830% (0.87  10.0 10.00   5.98 227.93) =  84.375%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.41 +/- 0.30  34.210% * 25.8976% (0.31  10.0 10.00   6.14 227.93) =  15.625%  kept
          QB    ALA  120 - QD1   LEU  115   7.41 +/- 0.46   0.039% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  15.30 +/- 1.26   0.001% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  14.50 +/- 1.22   0.001% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.88 +/- 1.37   0.010% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.51 +/- 1.46   0.004% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.68 +/- 1.46   0.001% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  13.41 +/- 1.96   0.001% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.69 +/- 1.43   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.9:
    * O T QD2   LEU  115 - QD1   LEU  115   2.05 +/- 0.06  99.128% * 99.5578% (0.97  10.0 10.00   7.24 227.93) =  99.999%  kept
          QD1   LEU   63 - QD1   LEU  115   5.58 +/- 0.84   0.755% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   7.10 +/- 1.05   0.111% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.43 +/- 1.12   0.003% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.12 +/- 1.12   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.20 +/- 1.45   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  16.81 +/- 0.93   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.797, support = 7.37, residual support = 223.7:
    *   T HA    LEU  115 - QD2   LEU  115   3.25 +/- 0.36  95.058% * 70.2377% (0.81 10.00   7.43 227.93) =  98.006%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.76 +/- 0.49   4.731% * 28.6837% (0.33 10.00   4.45  15.68) =   1.992%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.68 +/- 1.25   0.176% *  0.7762% (0.89 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD2   LEU  115  13.14 +/- 0.61   0.027% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  19.64 +/- 1.55   0.002% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  20.70 +/- 1.57   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  19.23 +/- 1.83   0.002% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.79 +/- 1.74   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  24.94 +/- 1.51   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.9:
    * O T HB2   LEU  115 - QD2   LEU  115   2.66 +/- 0.45  95.842% * 99.6279% (0.97  10.0 10.00   7.24 227.93) =  99.997%  kept
          HG3   PRO   58 - QD2   LEU  115   6.07 +/- 1.45   2.646% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QD2   LEU  115   5.74 +/- 0.43   1.414% *  0.0307% (0.30   1.0  1.00   0.02  15.68) =   0.000%
          HB2   LEU   67 - QD2   LEU  115  12.45 +/- 2.11   0.030% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  10.88 +/- 1.06   0.043% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  13.46 +/- 1.50   0.013% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  14.35 +/- 1.68   0.008% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.66 +/- 1.68   0.004% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.796, support = 7.19, residual support = 227.9:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  80.918% * 72.7830% (0.84  10.0 10.00   7.18 227.93) =  92.366%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.84 +/- 0.44  18.794% * 25.8976% (0.30  10.0 10.00   7.35 227.93) =   7.634%  kept
          QB    ALA  120 - QD2   LEU  115   5.66 +/- 0.57   0.252% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  14.73 +/- 1.52   0.001% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.46 +/- 1.31   0.026% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  13.86 +/- 1.54   0.001% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  12.95 +/- 2.44   0.003% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.48 +/- 1.42   0.004% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  14.59 +/- 1.95   0.001% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  17.33 +/- 1.89   0.000% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.9:
    * O T QD1   LEU  115 - QD2   LEU  115   2.05 +/- 0.06  99.998% * 99.9055% (0.97  10.0 10.00   7.24 227.93) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  13.17 +/- 1.35   0.002% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 115.2:
    * O T HB2   GLN  116 - HA    GLN  116   2.92 +/- 0.09  99.073% * 98.6426% (1.00  10.0 10.00   5.31 115.16) =  99.999%  kept
          HB2   PRO   58 - HA    GLN  116   8.12 +/- 1.94   0.912% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLN  116  13.45 +/- 1.77   0.014% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.65 +/- 2.21   0.000% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  26.50 +/- 1.19   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  24.39 +/- 1.60   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.96, residual support = 115.2:
    * O T HG2   GLN  116 - HA    GLN  116   2.38 +/- 0.47  99.976% * 99.8732% (1.00  10.0 10.00   4.96 115.16) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.77 +/- 1.13   0.024% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  31.78 +/- 1.33   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 115.2:
    * O T HA    GLN  116 - HB2   GLN  116   2.92 +/- 0.09  99.997% * 98.1197% (1.00  10.0 10.00   5.31 115.16) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  20.23 +/- 1.17   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  29.89 +/- 1.09   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  20.45 +/- 1.70   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  30.82 +/- 1.36   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  23.22 +/- 2.38   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  22.37 +/- 1.59   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  27.48 +/- 1.20   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  30.23 +/- 2.03   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 115.2:
    * O T HG2   GLN  116 - HB2   GLN  116   2.70 +/- 0.11  99.986% * 99.8732% (1.00  10.0 10.00   5.54 115.16) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  12.30 +/- 1.01   0.014% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  33.45 +/- 1.71   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.96, residual support = 115.2:
    * O T HA    GLN  116 - HG2   GLN  116   2.38 +/- 0.47  99.997% * 99.5202% (1.00  10.0 10.00   4.96 115.16) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  19.51 +/- 1.54   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  19.28 +/- 1.50   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  22.59 +/- 2.04   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  20.96 +/- 1.71   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  30.43 +/- 1.95   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  29.33 +/- 1.31   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  26.83 +/- 1.59   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  30.39 +/- 1.30   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 115.2:
    * O T HB2   GLN  116 - HG2   GLN  116   2.70 +/- 0.11  98.465% * 99.6852% (1.00  10.0 10.00   5.54 115.16) =  99.999%  kept
          HB2   PRO   58 - HG2   GLN  116   7.82 +/- 2.60   1.531% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG2   GLN  116  15.29 +/- 1.40   0.004% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.56 +/- 1.83   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  25.18 +/- 1.77   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.05 +/- 1.17   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 1.2, residual support = 15.1:
    * O T QB    SER  117 - HA    SER  117   2.45 +/- 0.10  98.356% * 98.0631% (1.00  10.0 10.00   1.20  15.09) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   5.69 +/- 0.56   0.756% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    SER  117   5.41 +/- 0.23   0.882% *  0.0403% (0.41   1.0  1.00   0.02   6.34) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.10 +/- 2.35   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER  117  13.01 +/- 0.90   0.005% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  24.27 +/- 2.01   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.76 +/- 1.00   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  24.01 +/- 1.14   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  23.40 +/- 1.54   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.2, residual support = 15.1:
    * O T HA    SER  117 - QB    SER  117   2.45 +/- 0.10  99.922% * 99.1287% (1.00  10.0 10.00   1.20  15.09) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.46 +/- 0.32   0.061% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.49 +/- 0.93   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.92 +/- 1.70   0.001% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.13 +/- 0.49   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  24.27 +/- 2.01   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.39 +/- 0.91   0.004% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  15.67 +/- 1.43   0.002% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  24.01 +/- 1.14   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.86 +/- 0.53   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.22 +/- 1.24   0.001% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  26.20 +/- 1.15   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  20.38 +/- 0.83   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.66 +/- 1.44   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  25.40 +/- 0.48   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.63, residual support = 257.4:
    * O T HB    ILE  119 - HA    ILE  119   3.01 +/- 0.01  99.892% * 99.2403% (0.87  10.0 10.00   6.63 257.41) = 100.000%  kept
          HB3   PRO   68 - HA    ILE  119  13.40 +/- 3.03   0.024% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.35 +/- 1.52   0.027% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  13.60 +/- 1.38   0.014% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  12.07 +/- 0.99   0.028% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.86 +/- 1.79   0.003% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  16.76 +/- 2.42   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  18.85 +/- 2.17   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  19.95 +/- 3.88   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  19.69 +/- 1.87   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  17.81 +/- 1.74   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  28.06 +/- 1.31   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.95, residual support = 257.4:
    * O T QG2   ILE  119 - HA    ILE  119   2.40 +/- 0.11  99.134% * 99.7168% (1.00  10.0 10.00   6.95 257.41) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   8.82 +/- 3.66   0.773% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   9.61 +/- 3.23   0.068% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  13.02 +/- 2.35   0.006% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  11.30 +/- 2.36   0.014% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  14.28 +/- 2.12   0.003% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.65 +/- 0.99   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.79, residual support = 257.4:
    * O T HG12  ILE  119 - HA    ILE  119   2.79 +/- 0.26  99.469% * 99.4466% (1.00  10.0 10.00   6.79 257.41) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   7.67 +/- 3.28   0.496% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  12.91 +/- 1.72   0.011% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.58 +/- 1.53   0.013% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  16.88 +/- 1.86   0.005% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  16.80 +/- 2.19   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  18.82 +/- 0.99   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  20.60 +/- 1.90   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.00 +/- 1.83   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  21.71 +/- 0.53   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  27.31 +/- 2.74   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 257.4:
    * O T HG13  ILE  119 - HA    ILE  119   2.90 +/- 0.49  94.269% * 99.6771% (1.00  10.0 10.00   6.22 257.41) =  99.999%  kept
          QG1   VAL  107 - HA    ILE  119   5.68 +/- 1.77   4.359% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HA    ILE  119   7.20 +/- 0.60   0.625% *  0.0308% (0.31   1.0  1.00   0.02   2.63) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.41 +/- 1.24   0.699% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  11.63 +/- 1.64   0.042% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.43 +/- 0.84   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  19.95 +/- 2.94   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  21.82 +/- 1.32   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.05, residual support = 257.4:
    *   T QD1   ILE  119 - HA    ILE  119   3.62 +/- 0.35  99.364% * 99.2846% (0.97 10.00   6.05 257.41) =  99.999%  kept
          HB2   LEU  104 - HA    ILE  119  10.31 +/- 4.01   0.459% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  11.15 +/- 1.26   0.166% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  17.48 +/- 1.62   0.011% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.45 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 253.4:
    * O T HA    ILE  119 - HB    ILE  119   3.01 +/- 0.01  98.125% * 50.8167% (0.87  10.0 10.00   6.63 257.41) =  98.201%  kept
        T HA    THR  118 - HB    ILE  119   5.84 +/- 0.09   1.863% * 49.0416% (0.84   1.0 10.00   4.69  37.05) =   1.799%  kept
          HA2   GLY  109 - HB    ILE  119  14.62 +/- 1.17   0.009% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  22.68 +/- 2.50   0.001% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  21.66 +/- 1.21   0.001% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.39 +/- 1.13   0.001% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 257.4:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  99.958% * 99.7168% (0.87  10.0 10.00   6.31 257.41) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119  10.47 +/- 3.07   0.032% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  14.63 +/- 1.72   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.85 +/- 2.47   0.005% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.90 +/- 1.63   0.002% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  16.19 +/- 1.53   0.001% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.61 +/- 1.30   0.000% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.87, residual support = 257.4:
    * O T HG12  ILE  119 - HB    ILE  119   2.61 +/- 0.15  99.901% * 99.4466% (0.87  10.0 10.00   5.87 257.41) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   9.23 +/- 2.56   0.085% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  13.95 +/- 1.26   0.006% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  14.62 +/- 1.23   0.004% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.23 +/- 2.30   0.002% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  19.36 +/- 1.41   0.001% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  18.50 +/- 1.77   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.16 +/- 1.60   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.13 +/- 1.27   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  22.59 +/- 1.20   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.05 +/- 2.34   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.59, residual support = 257.4:
    * O T HG13  ILE  119 - HB    ILE  119   2.82 +/- 0.34  95.629% * 99.4020% (0.87  10.0 10.00   5.59 257.41) =  99.993%  kept
        T QG1   VAL  107 - HB    ILE  119   5.85 +/- 1.49   3.227% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.005%
        T QG2   VAL  107 - HB    ILE  119   7.18 +/- 1.37   0.795% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB    ILE  119   9.27 +/- 1.66   0.164% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.32 +/- 0.44   0.182% *  0.0307% (0.27   1.0  1.00   0.02   2.63) =   0.000%
          QB    ALA   20 - HB    ILE  119  18.47 +/- 1.13   0.002% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  22.40 +/- 2.12   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  23.21 +/- 1.15   0.000% *  0.0409% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 257.4:
    * O T QD1   ILE  119 - HB    ILE  119   2.44 +/- 0.33  99.979% * 99.2846% (0.84  10.0 10.00   5.44 257.41) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.67 +/- 1.11   0.011% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  12.71 +/- 3.08   0.010% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  18.84 +/- 1.78   0.001% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.95, residual support = 257.4:
    * O T HA    ILE  119 - QG2   ILE  119   2.40 +/- 0.11  99.614% * 99.6260% (1.00  10.0 10.00   6.95 257.41) = 100.000%  kept
          HA    THR  118 - QG2   ILE  119   6.10 +/- 0.02   0.381% *  0.0961% (0.97   1.0  1.00   0.02  37.05) =   0.000%
          HA2   GLY  109 - QG2   ILE  119  13.56 +/- 0.90   0.003% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  19.26 +/- 2.16   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  18.47 +/- 1.01   0.001% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  16.70 +/- 0.90   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 257.4:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  99.966% * 99.2403% (0.87  10.0 10.00   6.31 257.41) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119  10.81 +/- 2.59   0.011% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  10.97 +/- 1.24   0.006% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  10.67 +/- 0.90   0.007% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.07 +/- 1.85   0.003% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.98 +/- 1.07   0.002% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  13.95 +/- 1.89   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  14.36 +/- 1.34   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  16.72 +/- 1.52   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  17.22 +/- 1.39   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  18.36 +/- 2.76   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  24.44 +/- 1.00   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 257.4:
    * O T HG12  ILE  119 - QG2   ILE  119   3.16 +/- 0.09  99.449% * 99.4466% (1.00  10.0 10.00   6.18 257.41) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   8.64 +/- 2.17   0.364% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  11.06 +/- 1.30   0.070% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  11.16 +/- 1.16   0.069% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  14.92 +/- 1.81   0.017% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  13.95 +/- 1.73   0.017% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  17.00 +/- 1.03   0.005% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  17.06 +/- 1.42   0.005% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  21.83 +/- 1.26   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  18.60 +/- 0.89   0.003% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  22.72 +/- 2.13   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 257.4:
    * O T HG13  ILE  119 - QG2   ILE  119   2.50 +/- 0.29  98.473% * 99.6771% (1.00  10.0 10.00   5.89 257.41) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   6.02 +/- 1.23   0.953% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   7.05 +/- 1.09   0.348% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   8.92 +/- 1.46   0.083% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.72 +/- 0.45   0.138% *  0.0308% (0.31   1.0  1.00   0.02   2.63) =   0.000%
          QB    ALA   20 - QG2   ILE  119  14.58 +/- 0.89   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  18.18 +/- 2.01   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  19.20 +/- 0.96   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 257.4:
    *   T QD1   ILE  119 - QG2   ILE  119   1.98 +/- 0.23  99.986% * 99.8078% (0.97 10.00   5.75 257.41) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  10.77 +/- 2.80   0.007% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  10.72 +/- 0.96   0.006% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  15.57 +/- 1.48   0.001% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.75, residual support = 251.6:
    * O T HA    ILE  119 - HG12  ILE  119   2.79 +/- 0.26  97.269% * 50.8167% (1.00  10.0 10.00   6.79 257.41) =  97.378%  kept
        T HA    THR  118 - HG12  ILE  119   5.15 +/- 0.18   2.713% * 49.0416% (0.97   1.0 10.00   5.34  37.05) =   2.622%  kept
          HA2   GLY  109 - HG12  ILE  119  12.86 +/- 0.90   0.013% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  20.99 +/- 1.71   0.002% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  19.24 +/- 1.18   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  18.10 +/- 0.95   0.001% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.87, residual support = 257.4:
    * O T HB    ILE  119 - HG12  ILE  119   2.61 +/- 0.15  99.883% * 98.6651% (0.87  10.0 10.00   5.87 257.41) = 100.000%  kept
          HB2   LYS+ 111 - HG12  ILE  119  10.09 +/- 1.41   0.048% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  15.52 +/- 1.37   0.003% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119   9.90 +/- 0.98   0.044% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  12.00 +/- 1.31   0.014% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  15.09 +/- 2.17   0.004% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  19.16 +/- 1.60   0.001% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  19.83 +/- 1.49   0.001% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  17.73 +/- 1.98   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.94 +/- 1.55   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  21.48 +/- 2.80   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  27.75 +/- 1.19   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 257.4:
    * O T QG2   ILE  119 - HG12  ILE  119   3.16 +/- 0.09  99.107% * 99.7168% (1.00  10.0 10.00   6.18 257.41) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   9.73 +/- 2.95   0.667% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  13.08 +/- 1.90   0.030% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  10.75 +/- 2.37   0.124% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  11.56 +/- 1.70   0.053% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  15.06 +/- 1.49   0.010% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  15.64 +/- 1.05   0.008% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 257.4:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  96.587% * 99.6771% (1.00  10.0 10.00   5.54 257.41) =  99.999%  kept
          QG1   VAL  107 - HG12  ILE  119   4.15 +/- 1.59   3.198% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  119   5.50 +/- 1.25   0.200% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   9.28 +/- 1.63   0.008% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.75 +/- 0.55   0.007% *  0.0308% (0.31   1.0  1.00   0.02   2.63) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.96 +/- 0.92   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.52 +/- 2.29   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  21.26 +/- 1.20   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.42, residual support = 257.4:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.980% * 99.8078% (0.97  10.0 10.00   5.42 257.41) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119   9.94 +/- 1.15   0.013% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  11.50 +/- 2.99   0.007% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  16.49 +/- 1.71   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.19, residual support = 253.5:
    * O T HA    ILE  119 - HG13  ILE  119   2.90 +/- 0.49  98.165% * 50.8167% (1.00  10.0 10.00   6.22 257.41) =  98.249%  kept
        T HA    THR  118 - HG13  ILE  119   6.21 +/- 0.35   1.813% * 49.0416% (0.97   1.0 10.00   4.69  37.05) =   1.751%  kept
          HA2   GLY  109 - HG13  ILE  119  13.83 +/- 1.07   0.018% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  19.86 +/- 1.56   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.26 +/- 1.60   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  18.23 +/- 1.49   0.002% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.59, residual support = 257.4:
    * O T HB    ILE  119 - HG13  ILE  119   2.82 +/- 0.34  99.866% * 99.2403% (0.87  10.0 10.00   5.59 257.41) = 100.000%  kept
          HB2   LYS+ 111 - HG13  ILE  119  11.12 +/- 1.88   0.035% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  10.50 +/- 0.91   0.055% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  13.05 +/- 1.47   0.015% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  14.32 +/- 2.37   0.011% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.56 +/- 1.46   0.005% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  19.02 +/- 2.31   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  17.08 +/- 2.43   0.004% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  17.17 +/- 2.13   0.004% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  19.63 +/- 2.14   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  21.65 +/- 3.17   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  27.81 +/- 1.73   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 257.4:
    * O T QG2   ILE  119 - HG13  ILE  119   2.50 +/- 0.29  99.582% * 99.7168% (1.00  10.0 10.00   5.89 257.41) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   9.19 +/- 3.31   0.372% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  13.74 +/- 2.14   0.005% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  10.85 +/- 2.76   0.026% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.27 +/- 1.89   0.010% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  14.71 +/- 2.17   0.003% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.45 +/- 1.37   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 257.4:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.986% * 99.4466% (1.00  10.0 10.00   5.54 257.41) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   8.98 +/- 2.52   0.010% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.77 +/- 1.94   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  12.51 +/- 2.02   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  15.61 +/- 1.79   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  17.11 +/- 2.24   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  18.17 +/- 1.30   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  20.58 +/- 2.24   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.06 +/- 2.11   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  20.50 +/- 0.99   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  27.82 +/- 2.53   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.14, residual support = 257.4:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.986% * 99.8078% (0.97  10.0 10.00   5.14 257.41) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  10.86 +/- 1.29   0.008% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  12.06 +/- 3.18   0.006% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  16.74 +/- 2.03   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.04, residual support = 255.3:
    *   T HA    ILE  119 - QD1   ILE  119   3.62 +/- 0.35  95.538% * 81.7898% (0.97 10.00   6.05 257.41) =  99.036%  kept
          HA    THR  118 - QD1   ILE  119   6.21 +/- 0.15   4.259% * 17.8532% (0.93  1.00   4.52  37.05) =   0.964%  kept
          HA2   GLY  109 - QD1   ILE  119  11.19 +/- 1.04   0.155% *  0.0594% (0.70  1.00   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  15.24 +/- 1.04   0.021% *  0.1432% (0.17 10.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  16.85 +/- 1.46   0.014% *  0.0811% (0.96  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  16.80 +/- 1.22   0.012% *  0.0734% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 257.4:
    * O T HB    ILE  119 - QD1   ILE  119   2.44 +/- 0.33  99.764% * 98.5836% (0.84  10.0 10.00   5.44 257.41) = 100.000%  kept
        T HB    VAL  108 - QD1   ILE  119  11.11 +/- 1.36   0.017% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   8.84 +/- 1.10   0.081% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   8.25 +/- 0.85   0.097% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  12.48 +/- 1.86   0.014% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.76 +/- 1.21   0.015% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  14.67 +/- 1.69   0.005% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  14.27 +/- 1.25   0.004% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  16.83 +/- 1.31   0.001% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  16.48 +/- 1.33   0.002% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.31 +/- 2.15   0.001% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  23.56 +/- 1.17   0.000% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 257.4:
    *   T QG2   ILE  119 - QD1   ILE  119   1.98 +/- 0.23  99.905% * 99.7168% (0.97 10.00   5.75 257.41) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   8.17 +/- 2.24   0.071% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  12.28 +/- 1.53   0.003% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  10.06 +/- 1.83   0.012% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  12.84 +/- 1.21   0.002% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.14 +/- 1.28   0.004% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.64 +/- 0.98   0.002% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.42, residual support = 257.4:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.930% * 99.4466% (0.97  10.0 10.00   5.42 257.41) = 100.000%  kept
          HB2   ASP- 105 - QD1   ILE  119   8.50 +/- 1.77   0.038% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QD1   ILE  119   9.91 +/- 1.24   0.017% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  10.72 +/- 1.17   0.008% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  12.70 +/- 1.46   0.003% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  15.22 +/- 1.13   0.001% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  14.70 +/- 1.44   0.001% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.40 +/- 1.37   0.000% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  21.42 +/- 1.17   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.85 +/- 0.81   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  23.64 +/- 1.84   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.14, residual support = 257.4:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  95.482% * 99.6771% (0.97  10.0 10.00   5.14 257.41) =  99.999%  kept
          QG1   VAL  107 - QD1   ILE  119   4.61 +/- 1.29   2.643% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   5.09 +/- 1.32   1.656% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   6.89 +/- 1.49   0.198% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   8.98 +/- 0.40   0.019% *  0.0308% (0.30   1.0  1.00   0.02   2.63) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.79 +/- 0.90   0.002% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  18.12 +/- 1.86   0.000% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  18.17 +/- 1.09   0.000% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.5, residual support = 14.4:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.859% * 99.2082% (0.95  10.0 10.00   2.50  14.43) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.89 +/- 0.56   0.101% *  0.1618% (0.15   1.0 10.00   0.02   2.24) =   0.000%
          HG    LEU  115 - HA    ALA  120   9.47 +/- 1.35   0.018% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  13.54 +/- 4.42   0.008% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.39 +/- 0.86   0.009% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.57 +/- 1.55   0.001% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  14.89 +/- 3.53   0.001% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  14.09 +/- 3.58   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  21.05 +/- 1.04   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.72 +/- 1.37   0.000% *  0.0262% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.5, residual support = 14.4:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  95.720% * 99.3786% (0.95  10.0 10.00   2.50  14.43) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.88 +/- 0.04   2.704% *  0.0759% (0.72   1.0  1.00   0.02   2.24) =   0.002%
          QB    SER  117 - QB    ALA  120   4.30 +/- 0.25   1.568% *  0.0409% (0.39   1.0  1.00   0.02   6.34) =   0.001%
          HA    LYS+  65 - QB    ALA  120  13.34 +/- 1.46   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.11 +/- 2.68   0.004% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  19.56 +/- 2.65   0.001% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.59 +/- 0.81   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  18.25 +/- 1.60   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  21.22 +/- 2.09   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  21.57 +/- 1.13   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.969, support = 8.12, residual support = 305.7:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.87 +/- 0.08  63.183% * 91.1605% (1.00  10.0 10.00   8.23 310.58) =  96.672%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.24 +/- 0.40  34.628% *  5.7090% (0.06   1.0 10.00   4.75 164.95) =   3.318%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.24 +/- 0.69   2.128% *  0.2814% (0.31   1.0 10.00   0.02   2.18) =   0.010%
        T QD    LYS+  65 - HA    LYS+ 121  16.30 +/- 1.35   0.002% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.54 +/- 3.92   0.004% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  19.28 +/- 4.10   0.001% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.59 +/- 1.45   0.002% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  16.08 +/- 1.82   0.003% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.31 +/- 2.42   0.006% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.42 +/- 0.66   0.002% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  17.91 +/- 2.35   0.002% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.75 +/- 1.84   0.013% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.91 +/- 0.70   0.023% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  20.06 +/- 1.12   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.74 +/- 1.21   0.000% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.55 +/- 1.25   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.79 +/- 1.35   0.000% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.95 +/- 1.89   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  17.43 +/- 1.30   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.82 +/- 1.72   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 310.6:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.20 +/- 0.45  99.889% * 99.6412% (1.00  10.0 10.00   7.27 310.58) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.50 +/- 0.92   0.022% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.84 +/- 0.19   0.051% *  0.0308% (0.31   1.0  1.00   0.02   2.63) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  14.75 +/- 2.98   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  18.10 +/- 2.04   0.002% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.59 +/- 1.85   0.021% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.89 +/- 2.01   0.007% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.92 +/- 1.04   0.004% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.88 +/- 1.01   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.01 +/- 3.23   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.85 +/- 1.33   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.47 +/- 1.31   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 310.6:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.11 +/- 0.42  98.807% * 99.4380% (1.00  10.0 10.00   6.68 310.58) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.11 +/- 0.05   0.894% *  0.0484% (0.49   1.0  1.00   0.02   2.18) =   0.000%
          QD1   ILE   56 - HA    LYS+ 121  11.88 +/- 0.91   0.049% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+ 121  17.10 +/- 1.89   0.005% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  11.60 +/- 1.13   0.059% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  10.53 +/- 2.34   0.137% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  18.20 +/- 1.93   0.004% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.18 +/- 0.86   0.042% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  21.96 +/- 3.03   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.84 +/- 1.42   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.417, support = 7.22, residual support = 271.9:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.78 +/- 0.19  25.594% * 22.1286% (0.31  10.0 10.00   8.27 310.58) =  48.274%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.32 +/- 0.37  69.881% *  4.4601% (0.06  10.0 10.00   5.27 164.95) =  26.566%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.87 +/- 0.34   4.117% * 71.6953% (1.00   1.0 10.00   7.24 310.58) =  25.158%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.90 +/- 0.62   0.369% *  0.0360% (0.05   1.0 10.00   0.02  25.50) =   0.001%
        T QD    LYS+  66 - HA    LYS+ 121  11.00 +/- 2.27   0.010% *  0.5741% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.73 +/- 1.27   0.000% *  0.7106% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.39 +/- 4.92   0.012% *  0.0221% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.62 +/- 1.90   0.006% *  0.0089% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  13.75 +/- 4.21   0.003% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.44 +/- 1.14   0.001% *  0.0160% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.29 +/- 1.92   0.000% *  0.0450% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.93 +/- 1.14   0.000% *  0.1419% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.52 +/- 1.87   0.001% *  0.0139% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  13.68 +/- 1.56   0.003% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.89 +/- 1.22   0.000% *  0.0692% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.15 +/- 0.95   0.000% *  0.0548% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  16.48 +/- 1.42   0.001% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.64 +/- 1.53   0.002% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.74 +/- 1.42   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.60 +/- 1.88   0.000% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.987, support = 6.64, residual support = 289.2:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.88 +/- 0.76  88.604% * 58.4211% (1.00   6.72 310.58) =  91.838%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.94 +/- 0.37  11.133% * 41.3208% (0.84   5.69  49.22) =   8.161%  kept
          HB3   HIS  122 - HA    LYS+  65  12.06 +/- 2.41   0.219% *  0.0091% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  16.88 +/- 1.85   0.024% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  24.96 +/- 1.90   0.002% *  0.1194% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  27.01 +/- 2.42   0.001% *  0.0779% (0.45   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.88 +/- 1.56   0.013% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  29.20 +/- 1.80   0.001% *  0.0268% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  24.19 +/- 1.35   0.002% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  24.16 +/- 1.66   0.002% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 8.23, residual support = 310.6:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.87 +/- 0.08  94.197% * 99.1042% (1.00  10.0 10.00   8.23 310.58) =  99.995%  kept
          QB    SER  117 - HB2   LYS+ 121   5.20 +/- 0.86   4.081% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA  120 - HB2   LYS+ 121   5.68 +/- 0.34   1.694% *  0.0757% (0.76   1.0  1.00   0.02   2.24) =   0.001%
        T HA    LYS+  65 - HB2   LYS+ 121  16.08 +/- 1.82   0.004% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  12.11 +/- 0.85   0.019% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.91 +/- 1.15   0.004% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.46 +/- 2.35   0.001% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  20.76 +/- 2.28   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  24.15 +/- 1.45   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  22.63 +/- 0.92   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.7, residual support = 310.6:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.84 +/- 0.20  99.384% * 99.7211% (1.00  10.0 10.00   7.70 310.58) = 100.000%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.52 +/- 1.07   0.167% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.23 +/- 0.56   0.429% *  0.0308% (0.31   1.0  1.00   0.02   2.63) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  12.75 +/- 3.00   0.018% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  20.20 +/- 1.12   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.24 +/- 3.20   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.13, residual support = 310.6:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.74 +/- 0.24  99.776% * 99.0974% (1.00  10.0 10.00   7.13 310.58) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   8.10 +/- 0.17   0.172% *  0.4824% (0.49   1.0 10.00   0.02   2.18) =   0.001%
          QD1   ILE   56 - HB2   LYS+ 121  10.19 +/- 0.79   0.048% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  15.50 +/- 1.97   0.004% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.00 +/- 3.01   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 8.35, residual support = 310.6:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  80.539% * 23.0703% (0.31  10.0 10.00   8.90 310.58) =  56.101%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.49 +/- 0.69  19.452% * 74.7463% (1.00  10.0 10.00   7.66 310.58) =  43.899%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.88 +/- 2.10   0.002% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  10.22 +/- 4.70   0.005% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.74 +/- 1.39   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.97 +/- 1.22   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  12.69 +/- 3.92   0.001% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.50 +/- 1.46   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.74 +/- 1.32   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.15 +/- 1.31   0.000% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.988, support = 7.09, residual support = 290.8:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.74 +/- 0.34  89.748% * 58.1290% (1.00   7.17 310.58) =  92.435%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.57 +/- 0.58  10.248% * 41.6618% (0.84   6.15  49.22) =   7.565%  kept
          HG2   GLN   30 - HB2   LYS+ 121  23.03 +/- 2.03   0.002% *  0.1114% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  25.01 +/- 2.54   0.001% *  0.0727% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  26.75 +/- 1.45   0.001% *  0.0250% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 310.6:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.20 +/- 0.45  98.564% * 99.1042% (1.00  10.0 10.00   7.27 310.58) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   5.54 +/- 1.19   1.091% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   LYS+ 121   6.50 +/- 0.32   0.336% *  0.0757% (0.76   1.0  1.00   0.02   2.24) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  18.10 +/- 2.04   0.002% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.52 +/- 1.13   0.006% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.84 +/- 1.25   0.001% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  22.71 +/- 2.47   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  25.46 +/- 2.47   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  26.08 +/- 1.61   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  23.96 +/- 1.02   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.7, residual support = 310.6:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.84 +/- 0.20  99.449% * 99.4783% (1.00  10.0 10.00   7.70 310.58) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.10 +/- 0.76   0.527% *  0.0307% (0.31   1.0  1.00   0.02   2.18) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  14.65 +/- 4.23   0.010% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.39 +/- 1.58   0.002% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  19.37 +/- 4.15   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  15.76 +/- 1.98   0.004% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  17.67 +/- 2.31   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  16.79 +/- 0.67   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.94 +/- 1.55   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.96 +/- 1.62   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 310.6:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.992% * 99.3314% (1.00  10.0 10.00   6.31 310.58) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.64 +/- 0.30   0.007% *  0.0483% (0.49   1.0  1.00   0.02   2.18) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  11.91 +/- 0.83   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  17.23 +/- 2.14   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  21.67 +/- 3.39   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.845, support = 7.0, residual support = 310.6:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.82 +/- 0.20  51.605% * 75.5250% (1.00  10.0 10.00   6.78 310.58) =  77.575%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.85 +/- 0.12  48.333% * 23.3106% (0.31  10.0 10.00   7.76 310.58) =  22.425%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  12.21 +/- 2.26   0.011% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121  10.81 +/- 5.13   0.039% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  13.78 +/- 1.70   0.005% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  14.06 +/- 4.31   0.006% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.82 +/- 1.53   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.18 +/- 1.32   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  22.93 +/- 1.40   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  22.34 +/- 1.43   0.000% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 6.31, residual support = 309.1:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.53 +/- 0.48  97.278% * 83.0351% (1.00  10.0   6.31 310.58) =  99.435%  kept
          HB3   HIS  122 - HG2   LYS+ 121   7.09 +/- 1.09   2.722% * 16.8578% (0.84   1.0   4.86  49.22) =   0.565%  kept
          HG2   GLN   30 - HG2   LYS+ 121  25.05 +/- 2.22   0.000% *  0.0570% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  26.65 +/- 2.83   0.000% *  0.0372% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  28.93 +/- 1.56   0.000% *  0.0128% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 310.6:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.11 +/- 0.42  96.108% * 98.4706% (1.00  10.0 10.00   6.68 310.58) =  99.997%  kept
          QB    SER  117 - HG3   LYS+ 121   5.98 +/- 0.91   2.895% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - HG3   LYS+ 121   7.50 +/- 0.23   0.604% *  0.0753% (0.76   1.0  1.00   0.02   2.24) =   0.000%
        T HA    LYS+  65 - QD2   LEU   73  11.60 +/- 1.13   0.057% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  10.05 +/- 0.99   0.130% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  17.10 +/- 1.89   0.004% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  18.20 +/- 1.93   0.004% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  11.94 +/- 1.03   0.034% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73  10.25 +/- 1.01   0.099% *  0.0093% (0.09   1.0  1.00   0.02   0.18) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  17.11 +/- 1.60   0.006% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  14.38 +/- 1.10   0.019% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  14.49 +/- 0.89   0.013% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  16.28 +/- 0.91   0.006% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.46 +/- 0.80   0.011% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  17.02 +/- 1.43   0.004% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.90 +/- 1.27   0.003% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.43 +/- 2.37   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  25.69 +/- 1.61   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  22.47 +/- 2.47   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  23.06 +/- 1.39   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.13, residual support = 310.6:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.74 +/- 0.24  99.061% * 98.6953% (1.00  10.0 10.00   7.13 310.58) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.13 +/- 0.70   0.180% *  0.3046% (0.31   1.0 10.00   0.02   2.18) =   0.001%
          HD2   LYS+  74 - QD2   LEU   73   6.72 +/- 0.77   0.636% *  0.0204% (0.21   1.0  1.00   0.02  40.88) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  15.50 +/- 1.97   0.004% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  11.15 +/- 0.85   0.029% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.57 +/- 4.37   0.014% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  12.35 +/- 1.28   0.016% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  12.06 +/- 0.80   0.015% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.64 +/- 1.39   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  12.66 +/- 1.12   0.015% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  18.54 +/- 4.24   0.002% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.68 +/- 0.80   0.007% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  15.82 +/- 1.82   0.004% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.46 +/- 2.43   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.42 +/- 1.08   0.006% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.93 +/- 0.74   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  20.39 +/- 1.74   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.95 +/- 1.99   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.59 +/- 1.69   0.002% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  20.86 +/- 1.47   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 310.6:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.901% * 98.9593% (1.00  10.0 10.00   6.31 310.58) = 100.000%  kept
        T HB3   LEU   31 - QD2   LEU   73   6.64 +/- 0.36   0.036% *  0.0938% (0.09   1.0 10.00   0.02   3.35) =   0.000%
          QB    ALA   20 - QD2   LEU   73   6.28 +/- 0.36   0.051% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   9.87 +/- 1.20   0.004% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.68 +/- 0.53   0.004% *  0.0305% (0.31   1.0  1.00   0.02   2.63) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  12.50 +/- 3.63   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  17.23 +/- 2.14   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.88 +/- 0.75   0.001% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.51 +/- 0.92   0.001% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  20.59 +/- 3.69   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.77 +/- 2.04   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.69 +/- 1.28   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1558 (0.80, 0.80, 24.39 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 121 - HG3   LYS+ 121  (1.00)  kept
          QD2   LEU   73 - QD2   LEU   73  (0.12)  kept
 
    Peak 1559 (1.50, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.704, support = 6.6, residual support = 310.6:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.87 +/- 0.10  28.681% * 75.1260% (1.00  10.0 10.00   6.24 310.58) =  57.141%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.45 +/- 0.27  69.696% * 23.1874% (0.31  10.0 10.00   7.09 310.58) =  42.858%  kept
          QG2   THR   26 - QD2   LEU   73   5.27 +/- 0.82   0.882% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   5.81 +/- 0.60   0.519% *  0.0196% (0.26   1.0  1.00   0.02  40.88) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.87 +/- 0.50   0.077% *  0.0507% (0.07   1.0 10.00   0.02  40.88) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  12.54 +/- 2.08   0.006% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   9.62 +/- 5.25   0.055% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.54 +/- 1.04   0.005% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  16.23 +/- 1.96   0.001% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.32 +/- 0.79   0.055% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  12.22 +/- 1.28   0.006% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  15.50 +/- 2.33   0.001% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  13.23 +/- 4.36   0.006% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.77 +/- 1.54   0.003% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  12.20 +/- 0.85   0.005% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.70 +/- 1.54   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.98 +/- 1.43   0.000% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  22.20 +/- 1.63   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.74 +/- 1.60   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  18.17 +/- 1.61   0.001% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 310.6:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.65 +/- 0.52  80.496% * 99.6820% (1.00  10.0   6.00 310.58) =  99.994%  kept
          HG2   GLN   30 - QD2   LEU   73   3.90 +/- 0.96  19.128% *  0.0233% (0.23   1.0   0.02   8.04) =   0.006%
          HB3   HIS  122 - HG3   LYS+ 121   7.15 +/- 0.85   0.273% *  0.0833% (0.84   1.0   0.02  49.22) =   0.000%
          HB3   ASN   28 - QD2   LEU   73   8.69 +/- 0.27   0.086% *  0.0152% (0.15   1.0   0.02   0.13) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  13.42 +/- 2.55   0.009% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  15.46 +/- 1.94   0.003% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.29 +/- 0.82   0.004% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  24.15 +/- 2.48   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  25.50 +/- 3.14   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  28.31 +/- 1.56   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 7.19, residual support = 308.1:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.87 +/- 0.34  44.880% * 97.2777% (1.00 10.00   7.24 310.58) =  99.200%  kept
          QB    SER  117 - HD2   LYS+ 121   4.51 +/- 1.95  46.139% *  0.7360% (0.84  1.00   0.18   0.02) =   0.772%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.89 +/- 0.56   1.349% *  0.7434% (0.76 10.00   0.02   2.24) =   0.023%
        T HA    LYS+  65 - QD    LYS+  66   5.90 +/- 0.62   4.717% *  0.0413% (0.04 10.00   0.02  25.50) =   0.004%
        T HA    LYS+ 121 - QD    LYS+  66  11.00 +/- 2.27   0.109% *  0.1210% (0.12 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   8.34 +/- 2.83   1.075% *  0.0092% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  12.62 +/- 1.90   0.070% *  0.0518% (0.05 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   7.98 +/- 0.87   0.804% *  0.0042% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  17.29 +/- 1.92   0.007% *  0.3318% (0.34 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  11.04 +/- 0.98   0.097% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  11.09 +/- 1.14   0.085% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.58 +/- 1.29   0.319% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.92 +/- 1.60   0.010% *  0.0964% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.96 +/- 1.00   0.034% *  0.0270% (0.28  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  10.66 +/- 1.12   0.163% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  14.04 +/- 1.45   0.047% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.25 +/- 1.40   0.047% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  20.93 +/- 1.14   0.002% *  0.1517% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  14.43 +/- 1.13   0.019% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  23.58 +/- 2.59   0.001% *  0.0964% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  17.84 +/- 1.39   0.006% *  0.0127% (0.13  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  24.35 +/- 1.84   0.001% *  0.0920% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  22.03 +/- 2.43   0.002% *  0.0400% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  22.44 +/- 1.04   0.001% *  0.0400% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.54 +/- 1.44   0.004% *  0.0120% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.02 +/- 0.92   0.006% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.41 +/- 1.31   0.003% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.98 +/- 1.96   0.002% *  0.0120% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  22.19 +/- 1.42   0.001% *  0.0114% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  24.71 +/- 1.04   0.001% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1562 (1.66, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.746, support = 6.44, residual support = 276.0:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.49 +/- 0.69  19.452% * 87.6744% (1.00  10.0 10.00   7.66 310.58) =  71.892%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  80.391% *  8.2944% (0.09  10.0  1.00   3.34 187.60) =  28.108%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.24 +/- 1.02   0.088% *  0.1088% (0.12   1.0 10.00   0.02  25.50) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   8.03 +/- 0.91   0.011% *  0.0271% (0.31   1.0  1.00   0.02   2.18) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.88 +/- 2.10   0.002% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  12.16 +/- 2.04   0.002% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  14.53 +/- 3.68   0.000% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  16.65 +/- 1.62   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   8.15 +/- 3.22   0.035% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  14.20 +/- 2.56   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  19.44 +/- 3.77   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   8.54 +/- 1.14   0.012% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.29 +/- 1.81   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  10.55 +/- 1.90   0.003% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  17.04 +/- 1.37   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  15.71 +/- 3.00   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.74 +/- 1.32   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.46 +/- 1.02   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  14.08 +/- 0.83   0.000% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  18.63 +/- 1.59   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.79 +/- 1.17   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.08 +/- 0.76   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.74 +/- 2.64   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.46 +/- 1.15   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  14.93 +/- 1.58   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  20.86 +/- 1.30   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  24.26 +/- 1.61   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.55 +/- 1.72   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.68 +/- 1.48   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  24.35 +/- 1.41   0.000% *  0.0107% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 6.78, residual support = 310.6:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.82 +/- 0.20  97.080% * 99.3656% (1.00  10.0 10.00   6.78 310.58) =  99.999%  kept
          QB    ALA   20 - HD3   LYS+  74   6.00 +/- 0.87   1.983% *  0.0124% (0.12   1.0  1.00   0.02   8.19) =   0.000%
          QG2   VAL  107 - HD2   LYS+ 121   8.46 +/- 1.51   0.228% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   8.22 +/- 0.93   0.218% *  0.0307% (0.31   1.0  1.00   0.02   2.63) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  12.21 +/- 2.26   0.022% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.58 +/- 2.10   0.357% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  12.72 +/- 2.97   0.021% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  11.18 +/- 1.12   0.035% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  11.72 +/- 1.52   0.032% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.18 +/- 1.32   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.92 +/- 1.30   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  15.37 +/- 1.49   0.005% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  13.94 +/- 1.51   0.009% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  20.76 +/- 3.24   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.36 +/- 1.07   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  17.57 +/- 1.68   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.34 +/- 0.51   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  19.39 +/- 1.28   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 310.6:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.87 +/- 0.10  84.218% * 99.1222% (1.00  10.0 10.00   6.24 310.58) =  99.999%  kept
          QD2   LEU  123 - QD    LYS+  66   5.56 +/- 3.18  15.242% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - HD3   LYS+  74   7.87 +/- 0.50   0.210% *  0.0527% (0.05   1.0 10.00   0.02  40.88) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   9.13 +/- 0.48   0.086% *  0.0482% (0.49   1.0  1.00   0.02   2.18) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  10.43 +/- 1.04   0.041% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.54 +/- 2.08   0.018% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74  10.00 +/- 1.38   0.118% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  16.23 +/- 1.96   0.003% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.54 +/- 1.04   0.015% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.00 +/- 1.26   0.038% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.70 +/- 1.54   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.51 +/- 3.22   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.01 +/- 1.61   0.003% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.44 +/- 0.65   0.005% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  19.19 +/- 1.56   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 310.6:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.25 +/- 0.11  99.094% * 98.9202% (1.00  10.0  1.00   6.18 310.58) =  99.999%  kept
          HB3   HIS  122 - HD2   LYS+ 121   7.03 +/- 1.20   0.546% *  0.0826% (0.84   1.0  1.00   0.02  49.22) =   0.000%
          HB3   HIS  122 - QD    LYS+  66   7.64 +/- 2.88   0.336% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  11.95 +/- 0.51   0.005% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  11.87 +/- 2.18   0.011% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  23.79 +/- 2.12   0.000% *  0.6795% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.08 +/- 1.20   0.000% *  0.0845% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.75 +/- 1.05   0.007% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.91 +/- 1.24   0.001% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.79 +/- 1.34   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.24 +/- 0.48   0.001% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  25.43 +/- 2.70   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.02 +/- 1.84   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  23.61 +/- 1.28   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.88 +/- 1.66   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 67.4:
    * O T HB2   HIS  122 - HA    HIS  122   2.62 +/- 0.23  99.997% * 99.8210% (1.00  10.0 10.00   2.76  67.36) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.56 +/- 0.50   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.63 +/- 1.39   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.54, residual support = 67.2:
    * O T HB3   HIS  122 - HA    HIS  122   2.74 +/- 0.28  95.524% * 87.6766% (1.00  10.0 10.00   3.54  67.36) =  99.350%  kept
          QE    LYS+ 121 - HA    HIS  122   6.62 +/- 1.44   4.475% * 12.2421% (0.84   1.0  1.00   3.34  49.22) =   0.650%  kept
          HG2   GLN   30 - HA    HIS  122  22.09 +/- 2.63   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  24.82 +/- 3.21   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.35 +/- 1.51   0.000% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 67.4:
    * O T HA    HIS  122 - HB2   HIS  122   2.62 +/- 0.23  99.986% * 99.8702% (1.00  10.0 10.00   2.76  67.36) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  13.09 +/- 4.31   0.012% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  18.11 +/- 0.98   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  18.82 +/- 1.19   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 67.4:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.939% * 99.8240% (1.00  10.0 10.00   3.42  67.36) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   8.01 +/- 1.40   0.061% *  0.0834% (0.84   1.0  1.00   0.02  49.22) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  20.43 +/- 2.58   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  26.69 +/- 1.56   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  23.70 +/- 3.07   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.54, residual support = 67.4:
    * O T HA    HIS  122 - HB3   HIS  122   2.74 +/- 0.28  99.980% * 99.8702% (1.00  10.0 10.00   3.54  67.36) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  13.39 +/- 4.47   0.017% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.81 +/- 1.35   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  18.30 +/- 0.87   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 67.4:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00 100.000% * 99.8210% (1.00  10.0 10.00   3.42  67.36) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.15 +/- 0.88   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.47 +/- 1.33   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 200.7:
    * O T HB2   LEU  123 - HA    LEU  123   2.91 +/- 0.19  99.668% * 98.5720% (1.00  10.0 10.00   6.12 200.72) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  12.98 +/- 4.74   0.032% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.91 +/- 0.12   0.261% *  0.0304% (0.31   1.0  1.00   0.02   2.18) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  15.57 +/- 2.01   0.005% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.29 +/- 2.02   0.026% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  19.24 +/- 1.91   0.002% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  19.07 +/- 3.67   0.002% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  19.42 +/- 4.55   0.002% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.00 +/- 1.32   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  22.30 +/- 2.04   0.001% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.94 +/- 1.83   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  28.34 +/- 1.53   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 200.7:
    * O T HB3   LEU  123 - HA    LEU  123   2.65 +/- 0.16  99.994% * 99.6484% (1.00  10.0 10.00   5.53 200.72) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.28 +/- 1.27   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  20.98 +/- 3.82   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.53 +/- 1.28   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.94 +/- 1.50   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  23.64 +/- 2.85   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.7:
    * O T HG    LEU  123 - HA    LEU  123   3.55 +/- 0.50  86.576% * 98.6685% (0.69  10.0 10.00   5.42 200.72) =  99.994%  kept
          QB    LYS+  66 - HA    LEU  123   6.87 +/- 3.94  11.329% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HA    LEU  123   9.92 +/- 5.26   1.805% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HA    LEU  123  11.99 +/- 3.88   0.113% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  23.07 +/- 3.93   0.118% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  16.62 +/- 1.94   0.017% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  15.27 +/- 1.89   0.018% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  19.30 +/- 3.00   0.005% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.05 +/- 2.89   0.004% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  18.29 +/- 3.72   0.008% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  19.28 +/- 2.77   0.005% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  21.10 +/- 2.83   0.003% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  27.93 +/- 1.80   0.001% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  28.71 +/- 1.69   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 200.7:
    *   T QD1   LEU  123 - HA    LEU  123   2.27 +/- 0.53  99.720% * 99.6081% (1.00 10.00   6.05 200.72) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  123   9.38 +/- 3.99   0.170% *  0.0919% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123  10.02 +/- 2.64   0.078% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.82 +/- 4.83   0.023% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  16.34 +/- 2.91   0.005% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  14.36 +/- 1.06   0.005% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 200.7:
    *   T QD2   LEU  123 - HA    LEU  123   2.69 +/- 0.22  99.908% * 99.9316% (1.00 10.00   4.75 200.72) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.27 +/- 0.41   0.071% *  0.0486% (0.49  1.00   0.02   2.18) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.82 +/- 4.83   0.020% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 200.7:
    * O T HA    LEU  123 - HB2   LEU  123   2.91 +/- 0.19  99.959% * 98.7431% (1.00  10.0 10.00   6.12 200.72) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  17.54 +/- 4.12   0.003% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.68 +/- 0.95   0.018% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.61 +/- 1.75   0.006% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  14.56 +/- 1.23   0.008% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  17.13 +/- 3.94   0.004% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  24.19 +/- 3.65   0.000% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  21.63 +/- 2.68   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  26.99 +/- 3.43   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.43, residual support = 200.7:
    * O T HG    LEU  123 - HB2   LEU  123   2.33 +/- 0.17  99.696% * 97.8726% (0.69  10.0 10.00   5.43 200.72) = 100.000%  kept
          QB    LYS+  66 - HB2   LEU  123   8.33 +/- 3.55   0.231% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LEU  123  12.18 +/- 4.73   0.031% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  22.08 +/- 4.09   0.024% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  11.37 +/- 3.62   0.013% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.70 +/- 1.59   0.002% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  19.21 +/- 3.05   0.000% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  19.08 +/- 2.48   0.000% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  15.95 +/- 1.64   0.001% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  22.62 +/- 2.73   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  19.30 +/- 2.19   0.000% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  22.64 +/- 2.26   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  27.12 +/- 2.19   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  28.66 +/- 1.96   0.000% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 200.7:
    * O T QD1   LEU  123 - HB2   LEU  123   2.74 +/- 0.17  99.857% * 99.6081% (1.00  10.0 10.00   5.99 200.72) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123  10.88 +/- 3.37   0.060% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  10.80 +/- 2.45   0.057% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  12.76 +/- 4.37   0.019% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  15.35 +/- 0.93   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  17.67 +/- 2.38   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 200.7:
    * O T QD2   LEU  123 - HB2   LEU  123   2.97 +/- 0.34  99.619% * 99.4960% (1.00  10.0 10.00   4.86 200.72) =  99.998%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.13 +/- 0.70   0.344% *  0.4843% (0.49   1.0 10.00   0.02   2.18) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  12.76 +/- 4.37   0.038% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.7:
    * O T HA    LEU  123 - HG    LEU  123   3.55 +/- 0.50  99.749% * 99.5102% (0.69  10.0 10.00   5.42 200.72) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  11.91 +/- 1.15   0.107% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  14.16 +/- 1.82   0.050% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  12.90 +/- 1.24   0.071% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  18.35 +/- 3.58   0.009% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  17.75 +/- 3.51   0.010% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  24.82 +/- 3.21   0.001% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  21.19 +/- 2.40   0.003% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  26.71 +/- 3.16   0.001% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.43, residual support = 200.7:
    * O T HB2   LEU  123 - HG    LEU  123   2.33 +/- 0.17  99.901% * 96.6014% (0.69  10.0 10.00   5.43 200.72) = 100.000%  kept
        T QD    LYS+  65 - HG    LEU  123  12.20 +/- 2.05   0.011% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG    LEU  123   7.70 +/- 0.43   0.080% *  0.0298% (0.21   1.0  1.00   0.02   2.18) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  17.50 +/- 2.27   0.001% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.44 +/- 1.53   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  20.16 +/- 2.69   0.000% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  14.90 +/- 3.64   0.004% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.00 +/- 1.49   0.002% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  20.93 +/- 2.51   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  21.66 +/- 3.39   0.000% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  21.61 +/- 1.23   0.000% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  28.37 +/- 1.55   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 200.7:
    * O T HB3   LEU  123 - HG    LEU  123   2.67 +/- 0.11  99.990% * 97.8109% (0.69  10.0 10.00   5.12 200.72) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.05 +/- 1.39   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  13.87 +/- 1.22   0.007% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  22.61 +/- 3.17   0.000% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  21.64 +/- 2.78   0.001% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  19.84 +/- 1.46   0.001% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.7:
    * O T QD1   LEU  123 - HG    LEU  123   2.11 +/- 0.02  99.971% * 99.6081% (0.69  10.0 10.00   5.61 200.72) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123  10.97 +/- 3.10   0.010% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  10.10 +/- 2.06   0.016% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.80 +/- 3.79   0.002% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  14.64 +/- 0.90   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  17.66 +/- 2.28   0.000% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.7:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.985% * 99.9316% (0.69  10.0 10.00   4.44 200.72) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.47 +/- 0.42   0.013% *  0.0486% (0.33   1.0  1.00   0.02   2.18) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.80 +/- 3.79   0.002% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 200.7:
    *   T HA    LEU  123 - QD1   LEU  123   2.27 +/- 0.53  99.918% * 99.5102% (1.00 10.00   6.05 200.72) = 100.000%  kept
          HA    ASP- 113 - QD1   LEU  123  10.44 +/- 0.55   0.028% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU  123  11.42 +/- 1.65   0.012% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.17 +/- 1.31   0.026% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  14.16 +/- 3.38   0.006% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  13.57 +/- 3.31   0.007% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  19.47 +/- 3.02   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  16.38 +/- 2.10   0.002% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  21.00 +/- 2.54   0.000% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 200.7:
    * O T HB2   LEU  123 - QD1   LEU  123   2.74 +/- 0.17  98.710% * 99.3293% (1.00  10.0 10.00   5.99 200.72) = 100.000%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.87 +/- 0.20   1.104% *  0.0307% (0.31   1.0  1.00   0.02   2.18) =   0.000%
          QD    LYS+  65 - QD1   LEU  123   9.42 +/- 1.77   0.102% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  11.51 +/- 3.31   0.039% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  14.13 +/- 1.81   0.010% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.06 +/- 1.48   0.018% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.75 +/- 1.19   0.005% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  16.11 +/- 2.58   0.003% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  16.88 +/- 1.87   0.003% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  16.81 +/- 1.45   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  17.06 +/- 3.09   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.68 +/- 1.27   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 200.7:
    * O T HB3   LEU  123 - QD1   LEU  123   3.02 +/- 0.33  99.907% * 99.6484% (1.00  10.0 10.00   5.74 200.72) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.10 +/- 1.26   0.065% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.26 +/- 1.10   0.007% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  15.47 +/- 1.51   0.008% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  17.66 +/- 2.76   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  17.70 +/- 2.32   0.009% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.40 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.7:
    * O T HG    LEU  123 - QD1   LEU  123   2.11 +/- 0.02  95.409% * 98.8924% (0.69  10.0 10.00   5.61 200.72) =  99.999%  kept
          QB    LYS+  66 - QD1   LEU  123   5.32 +/- 3.05   4.301% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD1   LEU  123   8.97 +/- 3.73   0.121% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.22 +/- 3.28   0.131% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD1   LEU  123   9.18 +/- 2.93   0.023% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.80 +/- 1.45   0.004% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  11.77 +/- 1.85   0.007% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  17.21 +/- 2.46   0.001% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  15.81 +/- 2.09   0.001% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  15.14 +/- 2.67   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  15.75 +/- 1.86   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.75 +/- 1.99   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  21.85 +/- 1.57   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  22.82 +/- 1.55   0.000% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 200.7:
    * O T QD2   LEU  123 - QD1   LEU  123   2.08 +/- 0.06  99.943% * 99.7540% (1.00  10.0 10.00   4.91 200.72) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.53 +/- 0.26   0.047% *  0.0486% (0.49   1.0  1.00   0.02   2.18) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  10.67 +/- 3.53   0.010% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 200.7:
    *   T HA    LEU  123 - QD2   LEU  123   2.69 +/- 0.22  99.916% * 99.5102% (1.00 10.00   4.75 200.72) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  12.65 +/- 1.79   0.020% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.02 +/- 1.29   0.032% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  11.41 +/- 0.75   0.021% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  16.08 +/- 3.13   0.003% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  15.42 +/- 3.06   0.005% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  17.45 +/- 2.10   0.002% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  21.17 +/- 2.81   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  21.82 +/- 2.79   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 200.7:
    * O T HB2   LEU  123 - QD2   LEU  123   2.97 +/- 0.34  99.466% * 99.0560% (1.00  10.0 10.00   4.86 200.72) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   8.10 +/- 0.17   0.282% *  0.3057% (0.31   1.0 10.00   0.02   2.18) =   0.001%
          QD    LYS+  65 - QD2   LEU  123   9.59 +/- 2.00   0.182% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  13.01 +/- 3.19   0.029% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  15.78 +/- 1.93   0.011% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.02 +/- 1.18   0.011% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  16.14 +/- 1.20   0.005% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  18.69 +/- 2.25   0.006% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  17.85 +/- 2.26   0.003% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  18.31 +/- 3.01   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  18.72 +/- 1.23   0.002% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  24.76 +/- 1.59   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 200.7:
    * O T HB3   LEU  123 - QD2   LEU  123   2.32 +/- 0.29  99.989% * 99.6484% (1.00  10.0 10.00   4.44 200.72) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  11.95 +/- 1.33   0.007% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.69 +/- 1.01   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  19.01 +/- 2.84   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.15 +/- 1.58   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  18.74 +/- 2.77   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.7:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.01  98.132% * 98.6685% (0.69  10.0 10.00   4.44 200.72) =  99.999%  kept
          QB    LYS+  66 - QD2   LEU  123   6.13 +/- 3.25   1.497% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  18.67 +/- 3.77   0.292% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD2   LEU  123   9.61 +/- 3.98   0.066% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  13.24 +/- 1.90   0.003% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  11.49 +/- 2.53   0.005% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  18.26 +/- 2.82   0.001% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.82 +/- 1.06   0.001% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.00 +/- 1.64   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  19.19 +/- 1.77   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  17.23 +/- 2.29   0.000% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.98 +/- 1.43   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  23.86 +/- 2.17   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  24.58 +/- 2.14   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 200.7:
    * O T QD1   LEU  123 - QD2   LEU  123   2.08 +/- 0.06  99.938% * 99.6081% (1.00  10.0 10.00   4.91 200.72) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123   9.32 +/- 2.80   0.025% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   9.09 +/- 1.92   0.031% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  12.79 +/- 3.19   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  12.47 +/- 0.89   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  15.04 +/- 1.90   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1611 (0.82, 0.82, 23.66 ppm):
    1 diagonal assignment:
    *     QD2   LEU  123 - QD2   LEU  123  (1.00)  kept
 
    Peak 1612 (4.11, 4.11, 54.16 ppm):
    2 diagonal assignments:
    *     HA    ALA  124 - HA    ALA  124  (1.00)  kept
          HA    ALA   34 - HA    ALA   34  (0.04)  kept
 
    Peak 1614 (1.35, 4.11, 54.16 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.25:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.01  99.801% * 97.4620% (1.00  10.0 10.00   1.00   9.25) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.69 +/- 0.26   0.047% *  0.0730% (0.07   1.0 10.00   0.02   3.20) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.75 +/- 0.34   0.104% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.56 +/- 2.25   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.64 +/- 1.20   0.009% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.91 +/- 0.81   0.023% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  18.66 +/- 3.83   0.000% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  16.51 +/- 5.95   0.001% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  25.36 +/- 1.13   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  18.03 +/- 0.52   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  26.08 +/- 3.31   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  20.06 +/- 3.84   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.41 +/- 0.56   0.008% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  21.05 +/- 1.23   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  18.65 +/- 3.11   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  15.61 +/- 0.35   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.31 +/- 1.83   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.46 +/- 1.22   0.001% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  20.95 +/- 5.20   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.97 +/- 1.35   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.49 +/- 1.81   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.75 +/- 1.20   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  22.67 +/- 5.73   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  18.80 +/- 0.56   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.38 +/- 0.52   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.17 +/- 2.04   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  30.54 +/- 1.22   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.01 +/- 0.65   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  27.58 +/- 2.16   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.40 +/- 2.24   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.25:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.01  99.998% * 98.8388% (1.00  10.0 10.00   1.00   9.25) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  18.66 +/- 3.83   0.000% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  13.96 +/- 0.79   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  24.27 +/- 2.00   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  21.31 +/- 2.32   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  22.71 +/- 4.20   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  19.73 +/- 3.78   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.26 +/- 1.95   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 200.7:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.52 200.72) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.59 +/- 1.33   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  22.60 +/- 3.25   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.21 +/- 1.10   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  20.71 +/- 1.51   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  23.17 +/- 2.70   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.52, residual support = 200.7:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.984% * 96.4170% (0.99  10.0 10.00   5.52 200.72) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.98 +/- 0.65   0.014% *  0.0365% (0.38   1.0  1.00   0.02   2.18) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.22 +/- 2.20   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  19.94 +/- 3.23   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  19.06 +/- 1.48   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  21.14 +/- 4.02   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  14.43 +/- 4.32   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  19.30 +/- 2.28   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  15.71 +/- 1.95   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.61 +/- 2.59   0.000% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  29.46 +/- 1.90   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.56 +/- 1.67   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 200.7:
    * O T QD1   LEU  123 - HB3   LEU  123   3.02 +/- 0.33  99.763% * 99.6081% (1.00  10.0 10.00   5.74 200.72) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  11.15 +/- 3.56   0.086% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  11.30 +/- 2.58   0.121% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.73 +/- 4.49   0.021% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  15.64 +/- 1.15   0.006% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  18.06 +/- 2.51   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 200.7:
    * O T QD2   LEU  123 - HB3   LEU  123   2.32 +/- 0.29  99.937% * 99.9316% (1.00  10.0 10.00   4.44 200.72) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.25 +/- 0.60   0.051% *  0.0486% (0.49   1.0  1.00   0.02   2.18) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.73 +/- 4.49   0.012% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 200.7:
    * O T HG    LEU  123 - HB3   LEU  123   2.67 +/- 0.11  98.980% * 95.7694% (0.69  10.0 10.00   5.12 200.72) =  99.999%  kept
        T HG3   PRO   68 - HB3   LEU  123  12.02 +/- 4.95   0.047% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   LEU  123   8.28 +/- 3.86   0.894% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  22.83 +/- 4.11   0.053% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  12.48 +/- 3.69   0.018% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  23.06 +/- 2.82   0.001% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  22.99 +/- 2.38   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.68 +/- 1.67   0.003% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  20.11 +/- 2.61   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.60 +/- 1.73   0.002% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  20.29 +/- 2.42   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.96 +/- 3.20   0.001% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  28.15 +/- 2.38   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  29.42 +/- 2.27   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 200.7:
    * O T HA    LEU  123 - HB3   LEU  123   2.65 +/- 0.16  99.982% * 99.5102% (1.00  10.0 10.00   5.53 200.72) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  13.52 +/- 0.65   0.006% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.13 +/- 1.80   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  18.23 +/- 4.28   0.002% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.77 +/- 1.40   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  17.71 +/- 4.12   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  24.71 +/- 3.82   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  21.72 +/- 2.80   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  26.94 +/- 3.62   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 5.27, residual support = 310.6:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  96.151% * 76.1572% (1.00  10.0   5.25 310.58) =  98.782%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.49 +/- 0.57   3.840% * 23.5057% (0.31  10.0   7.10 310.58) =   1.218%  kept
          HG    LEU  104 - HD3   LYS+ 121  10.37 +/- 4.80   0.006% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  12.88 +/- 2.23   0.001% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  12.36 +/- 2.18   0.001% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  14.04 +/- 3.95   0.001% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  18.96 +/- 1.62   0.000% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  21.52 +/- 1.72   0.000% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  22.23 +/- 1.43   0.000% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  20.37 +/- 1.76   0.000% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 310.6:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.70 +/- 0.29  99.744% * 99.7211% (1.00  10.0   6.28 310.58) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.87 +/- 1.50   0.151% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   9.21 +/- 0.98   0.083% *  0.0308% (0.31   1.0   0.02   2.63) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  12.55 +/- 3.20   0.021% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  21.61 +/- 1.41   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  21.00 +/- 3.29   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 310.6:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.58 +/- 0.33  99.921% * 98.9917% (1.00  10.0 10.00   5.98 310.58) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.13 +/- 0.98   0.025% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.85 +/- 0.55   0.051% *  0.0482% (0.49   1.0  1.00   0.02   2.18) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  16.75 +/- 2.12   0.002% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  20.81 +/- 3.17   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 310.6:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.15 +/- 0.24  99.654% * 99.2313% (1.00  10.0  1.00   7.07 310.58) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.79 +/- 0.89   0.272% *  0.0306% (0.31   1.0  1.00   0.02   2.18) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  14.28 +/- 2.58   0.016% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  14.09 +/- 4.01   0.031% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  17.65 +/- 1.56   0.004% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  16.39 +/- 2.92   0.011% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  19.50 +/- 3.84   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  16.28 +/- 0.91   0.006% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  20.12 +/- 1.92   0.002% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  24.56 +/- 1.78   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 310.6:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.48 +/- 0.11  99.808% * 99.7880% (1.00  10.0   5.88 310.58) = 100.000%  kept
          HB3   HIS  122 - HD3   LYS+ 121   8.01 +/- 1.03   0.192% *  0.0833% (0.84   1.0   0.02  49.22) =   0.000%
          HG2   GLN   30 - HD3   LYS+ 121  24.36 +/- 2.29   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  25.70 +/- 2.77   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  27.63 +/- 1.85   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.63, residual support = 310.3:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.20 +/- 0.47  49.501% * 99.1042% (1.00 10.00   6.63 310.58) =  99.915%  kept
          QB    SER  117 - HD3   LYS+ 121   4.70 +/- 1.94  49.126% *  0.0828% (0.84  1.00   0.02   0.02) =   0.083%
          HA    ALA  120 - HD3   LYS+ 121   7.75 +/- 0.70   1.267% *  0.0757% (0.76  1.00   0.02   2.24) =   0.002%
        T HA    LYS+  65 - HD3   LYS+ 121  18.35 +/- 1.97   0.013% *  0.3381% (0.34 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  16.28 +/- 1.67   0.027% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  13.98 +/- 1.01   0.056% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.32 +/- 2.40   0.002% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.93 +/- 1.71   0.002% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  22.93 +/- 2.47   0.003% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  22.49 +/- 1.24   0.003% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.76, residual support = 310.6:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.85 +/- 0.12  99.630% * 99.7211% (0.84  10.0 10.00   7.76 310.58) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   9.13 +/- 1.20   0.115% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   7.97 +/- 0.49   0.227% *  0.0308% (0.26   1.0  1.00   0.02   2.63) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  12.40 +/- 3.54   0.027% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.40 +/- 1.22   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  19.89 +/- 3.82   0.001% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.09, residual support = 310.6:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.45 +/- 0.27  99.888% * 99.5295% (0.84  10.0 10.00   7.09 310.58) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.35 +/- 0.18   0.085% *  0.0484% (0.41   1.0  1.00   0.02   2.18) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  10.88 +/- 1.06   0.024% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  15.50 +/- 2.33   0.003% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  19.75 +/- 3.62   0.001% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.9, residual support = 310.6:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.972% * 97.1314% (0.84  10.0 10.00   8.90 310.58) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.03 +/- 0.58   0.027% *  0.0300% (0.26   1.0  1.00   0.02   2.18) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  14.01 +/- 4.30   0.001% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.12 +/- 1.16   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  18.32 +/- 4.32   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.63 +/- 1.44   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  16.31 +/- 2.29   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.59 +/- 0.66   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.89 +/- 1.50   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  24.15 +/- 1.80   0.000% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1670 (2.75, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 6.81, residual support = 278.8:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.87 +/- 0.42  81.574% * 61.2195% (0.84  1.00   7.04 310.58) =  87.853%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.40 +/- 0.88  18.422% * 37.4810% (0.70  1.00   5.16  49.22) =  12.147%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.95 +/- 2.49   0.002% *  1.1948% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  24.76 +/- 3.10   0.002% *  0.0780% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  27.12 +/- 1.45   0.001% *  0.0268% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.27, residual support = 310.6:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.78 +/- 0.19  97.600% * 99.1042% (0.84  10.0 10.00   8.27 310.58) =  99.998%  kept
          QB    SER  117 - HB3   LYS+ 121   5.91 +/- 0.65   1.420% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   LYS+ 121   6.15 +/- 0.31   0.958% *  0.0757% (0.64   1.0  1.00   0.02   2.24) =   0.001%
        T HA    LYS+  65 - HB3   LYS+ 121  16.52 +/- 1.87   0.003% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.69 +/- 1.14   0.014% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  16.26 +/- 1.31   0.003% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.20 +/- 2.44   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  20.93 +/- 2.55   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.61 +/- 1.35   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  22.68 +/- 1.12   0.000% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 8.7, residual support = 310.6:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  80.540% * 55.3563% (0.84  10.0 10.00   8.90 310.58) =  84.242%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.49 +/- 0.69  19.452% * 42.8727% (0.65  10.0 10.00   7.66 310.58) =  15.758%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.88 +/- 2.10   0.002% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  10.22 +/- 4.70   0.005% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.74 +/- 1.39   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.50 +/- 1.46   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.74 +/- 1.32   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.97 +/- 1.22   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.15 +/- 1.31   0.000% *  0.0323% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1674 (1.52, 3.94, 58.66 ppm):
    18 chemical-shift based assignments, quality = 0.741, support = 7.89, residual support = 296.9:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.78 +/- 0.19  25.596% * 54.0873% (0.84  10.0 10.00   8.27 310.58) =  80.597%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.87 +/- 0.34   4.117% * 41.8899% (0.65   1.0 10.00   7.24 310.58) =  10.040%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.32 +/- 0.37  69.884% *  2.3010% (0.04  10.0 10.00   5.27 164.95) =   9.362%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.90 +/- 0.62   0.369% *  0.0392% (0.06   1.0 10.00   0.02  25.50) =   0.001%
        T QD    LYS+  66 - HA    LYS+ 121  11.00 +/- 2.27   0.010% *  0.6249% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.39 +/- 4.92   0.012% *  0.0541% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.73 +/- 1.27   0.000% *  0.3666% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.62 +/- 1.90   0.006% *  0.0279% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.93 +/- 1.14   0.000% *  0.4448% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.44 +/- 1.14   0.001% *  0.0470% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.52 +/- 1.87   0.001% *  0.0339% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.29 +/- 1.92   0.000% *  0.0263% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.89 +/- 1.22   0.000% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  13.68 +/- 1.56   0.003% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.15 +/- 0.95   0.000% *  0.0161% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  16.48 +/- 1.42   0.001% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.74 +/- 1.42   0.000% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.60 +/- 1.88   0.000% *  0.0030% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.958, support = 6.58, residual support = 304.4:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.20 +/- 0.47  19.898% * 97.6597% (1.00   1.0 10.00   6.63 310.58) =  95.773%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.21 +/- 0.48  70.689% *  1.2130% (0.01  10.0 10.00   5.27 164.95) =   4.226%  kept
          QB    ALA   61 - HA    LYS+  65   5.61 +/- 0.48   3.612% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   5.96 +/- 1.22   5.599% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.33 +/- 3.34   0.014% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.46 +/- 1.09   0.003% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.06 +/- 1.13   0.007% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  15.18 +/- 3.76   0.015% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.80 +/- 0.56   0.009% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  15.06 +/- 2.97   0.010% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  12.44 +/- 2.34   0.051% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  18.35 +/- 1.97   0.003% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.81 +/- 3.33   0.001% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  14.60 +/- 1.79   0.015% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.85 +/- 1.07   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  22.08 +/- 2.59   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.58 +/- 0.87   0.043% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.69 +/- 1.13   0.003% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  26.53 +/- 1.21   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  16.30 +/- 1.96   0.006% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.36 +/- 2.03   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.03 +/- 3.04   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  17.32 +/- 0.85   0.003% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  16.86 +/- 1.65   0.004% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  26.40 +/- 1.13   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  15.13 +/- 1.34   0.010% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  23.54 +/- 2.05   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  22.67 +/- 1.86   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 227.9:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.802% * 98.6779% (1.00  10.0 10.00   6.14 227.93) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.40 +/- 0.53   0.147% *  0.0305% (0.31   1.0  1.00   0.02  15.68) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   8.47 +/- 1.65   0.018% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   9.17 +/- 2.10   0.015% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  15.28 +/- 2.71   0.000% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   8.51 +/- 1.67   0.014% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.34 +/- 0.89   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.72 +/- 1.30   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  18.30 +/- 1.07   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.98 +/- 2.32   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.25 +/- 1.04   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.91 +/- 1.73   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.95 +/- 1.16   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.53 +/- 1.19   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  21.26 +/- 1.66   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.64 +/- 1.83   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 231.6:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.995% * 98.3538% (1.00  10.0 10.00   6.22 231.65) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  11.98 +/- 2.46   0.003% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  19.62 +/- 2.13   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  16.83 +/- 2.74   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.42 +/- 1.15   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  15.81 +/- 2.02   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  18.68 +/- 1.54   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  16.88 +/- 1.26   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.26 +/- 2.20   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.57 +/- 1.43   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.96 +/- 1.88   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.56 +/- 1.44   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  29.74 +/- 2.27   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  30.19 +/- 2.24   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.929, support = 4.39, residual support = 231.6:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  90.018% * 56.6026% (0.95  10.0   4.28 231.65) =  92.198%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   2.87 +/- 0.64   9.967% * 43.2573% (0.72  10.0   5.68 231.65) =   7.802%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.39 +/- 1.05   0.015% *  0.0212% (0.36   1.0   0.02  27.98) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  13.55 +/- 1.22   0.001% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  24.54 +/- 2.28   0.000% *  0.0561% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  20.65 +/- 1.75   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.84, residual support = 315.5:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  87.832% * 99.3620% (1.00  10.0   6.84 315.48) =  99.992%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.29 +/- 1.29  12.166% *  0.0563% (0.57   1.0   0.02   2.56) =   0.008%
          HB    ILE  119 - HB3   LYS+ 111  10.91 +/- 1.26   0.002% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.57 +/- 3.04   0.000% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.45 +/- 3.58   0.000% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.52 +/- 2.17   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  24.60 +/- 1.68   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  22.91 +/- 1.75   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  24.46 +/- 1.78   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  23.80 +/- 1.70   0.000% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.96 +/- 1.52   0.000% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.23 +/- 2.22   0.000% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 58.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.28 +/- 0.26  99.915% * 99.5482% (1.00  10.0 10.00   4.31  58.23) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.24 +/- 1.30   0.021% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.07 +/- 1.63   0.047% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.83 +/- 1.09   0.015% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HA    VAL  107  17.69 +/- 0.64   0.001% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  18.81 +/- 1.06   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.12 +/- 0.85   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 58.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.57 +/- 0.18  99.862% * 99.7501% (1.00  10.0 10.00   3.63  58.23) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  10.90 +/- 2.16   0.030% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.48 +/- 0.62   0.026% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.07 +/- 1.63   0.080% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.08 +/- 0.71   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.12 +/- 0.85   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 3.24, residual support = 43.1:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.92 +/- 0.20  93.379% * 83.8832% (1.00  10.0 10.00   3.23  43.37) =  98.884%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.69 +/- 0.03   5.708% * 15.4825% (0.87   1.0  1.00   4.26  23.13) =   1.116%  kept
          HB    ILE  103 - HA    ASP- 105   6.86 +/- 0.18   0.582% *  0.0831% (0.99   1.0  1.00   0.02   2.39) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.66 +/- 0.32   0.303% *  0.0129% (0.15   1.0  1.00   0.02   2.39) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  16.69 +/- 2.45   0.004% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  14.17 +/- 2.61   0.009% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.59 +/- 2.14   0.005% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  17.91 +/- 0.93   0.002% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  18.82 +/- 0.54   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  21.20 +/- 0.66   0.001% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.98 +/- 0.58   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  22.58 +/- 1.70   0.001% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.16 +/- 1.20   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.56 +/- 0.71   0.002% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.53, residual support = 43.4:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.971% * 99.5527% (0.95  10.0 10.00   3.53  43.37) = 100.000%  kept
          HG12  ILE  119 - HB3   ASP- 105   8.01 +/- 2.80   0.020% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   ASP- 105   9.06 +/- 0.65   0.006% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  11.20 +/- 1.16   0.002% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.72 +/- 0.89   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  16.28 +/- 1.92   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  21.50 +/- 0.90   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.52 +/- 1.07   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.93 +/- 1.02   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 4.87, residual support = 140.9:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.998% * 66.9933% (1.00  10.0  1.00   4.68 136.19) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.998% * 32.5339% (0.49  10.0  1.00   5.25 150.46) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  11.57 +/- 2.15   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.54 +/- 1.55   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  12.10 +/- 2.08   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  18.77 +/- 0.87   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  19.63 +/- 1.20   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.60 +/- 0.91   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  17.16 +/- 0.92   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  21.53 +/- 1.46   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  19.15 +/- 1.16   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  16.76 +/- 1.17   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  18.06 +/- 2.06   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.48 +/- 1.08   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.40 +/- 2.37   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  23.72 +/- 1.57   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.51 +/- 2.13   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  24.16 +/- 1.04   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  27.93 +/- 1.85   0.000% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.84 +/- 0.85   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 138.2:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.931% * 99.2815% (0.80  10.0 10.00   4.31 138.17) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.54 +/- 0.36   0.039% *  0.0900% (0.73   1.0  1.00   0.02  22.39) =   0.000%
          HB    VAL   41 - HG13  ILE  103   7.42 +/- 0.94   0.028% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  12.36 +/- 0.99   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  15.78 +/- 1.41   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  15.90 +/- 1.14   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.81 +/- 0.94   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  19.03 +/- 1.66   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.71 +/- 1.18   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.69, residual support = 187.6:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.957% * 99.4757% (0.80  10.0   5.69 187.60) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   6.60 +/- 0.66   0.041% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  14.23 +/- 2.03   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  16.04 +/- 1.21   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  14.22 +/- 2.08   0.001% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.41 +/- 1.76   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  19.19 +/- 1.05   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.78 +/- 0.97   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.73 +/- 0.99   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  21.39 +/- 1.55   0.000% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 213.9:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.998% * 99.3078% (1.00  10.0 10.00   5.11 213.94) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  11.14 +/- 0.74   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  18.88 +/- 0.64   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  15.71 +/- 1.28   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  16.73 +/- 1.21   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  16.22 +/- 0.82   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  17.33 +/- 0.96   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  20.09 +/- 1.78   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.3:
    * O T HA    ALA   57 - QB    ALA   57   2.14 +/- 0.01  99.966% * 99.6237% (1.00  10.0 10.00   2.81  24.29) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   9.05 +/- 0.79   0.021% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57  10.61 +/- 1.45   0.009% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.10 +/- 0.84   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  13.81 +/- 1.64   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  17.26 +/- 1.50   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  20.58 +/- 0.99   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  19.09 +/- 1.01   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  19.36 +/- 1.47   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  27.32 +/- 1.86   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.1:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81  10.06) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.43 +/- 0.62   0.002% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  12.76 +/- 0.69   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.47 +/- 1.05   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.67 +/- 0.95   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.77 +/- 0.46   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.10 +/- 2.35   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.41 +/- 0.56   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  30.97 +/- 1.27   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  39.25 +/- 2.78   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 65.1:
    * O T QG2   VAL   24 - QG1   VAL   24   2.05 +/- 0.05  99.999% * 99.5951% (1.00  10.0 10.00   2.70  65.10) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  16.21 +/- 1.02   0.000% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  18.86 +/- 1.39   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  24.78 +/- 1.91   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 155.3:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.990% * 99.4743% (1.00  10.0 10.00   6.16 155.27) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.82 +/- 0.14   0.006% *  0.0918% (0.92   1.0  1.00   0.02   8.24) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  11.38 +/- 2.54   0.003% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  18.33 +/- 0.93   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  14.11 +/- 2.20   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  21.27 +/- 2.09   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  19.27 +/- 2.71   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.69 +/- 1.48   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  16.14 +/- 1.76   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  15.23 +/- 1.11   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  20.86 +/- 1.06   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.21 +/- 1.69   0.000% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2134 (2.03, 2.03, 33.78 ppm):
    3 diagonal assignments:
    *     HG3   GLN   30 - HG3   GLN   30  (1.00)  kept
          HB2   LYS+ 111 - HB2   LYS+ 111  (0.10)  kept
          HB2   PRO   93 - HB2   PRO   93  (0.02)  kept
 
    Peak 2141 (2.92, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 150.5:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.76 +/- 0.30  94.796% * 99.0807% (1.00  10.0   4.53 150.46) =  99.998%  kept
          HB2   ASP-  78 - QG    LYS+  81   4.92 +/- 0.46   3.832% *  0.0307% (0.31   1.0   0.02   1.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   6.10 +/- 0.56   0.951% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   7.98 +/- 0.77   0.240% *  0.0338% (0.34   1.0   0.02   0.92) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.54 +/- 0.78   0.034% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.98 +/- 0.34   0.051% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  10.86 +/- 1.89   0.065% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  12.86 +/- 1.24   0.014% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  14.76 +/- 0.72   0.005% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  18.36 +/- 1.39   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  18.19 +/- 0.67   0.001% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.68 +/- 1.10   0.001% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  19.94 +/- 1.39   0.001% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  19.77 +/- 1.52   0.001% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.62 +/- 0.75   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  18.89 +/- 0.78   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.03 +/- 1.04   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.37 +/- 1.43   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.94 +/- 1.72   0.000% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.83 +/- 0.83   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  19.67 +/- 0.78   0.001% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.24 +/- 1.01   0.001% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.61 +/- 1.04   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  26.72 +/- 0.46   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 150.5:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.24 +/- 0.03  99.997% * 98.2551% (1.00  10.0 10.00   5.67 150.46) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+  33  18.56 +/- 0.77   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  18.61 +/- 0.79   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  14.71 +/- 0.88   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.10 +/- 0.69   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.47 +/- 2.88   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  25.23 +/- 1.49   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.83, residual support = 217.4:
    *     QE    LYS+  38 - HA    LYS+  38   4.36 +/- 0.32  73.913% * 98.1482% (1.00  1.00   4.83 217.50) =  99.963%  kept
          QE    LYS+  99 - HA    LYS+  38   7.28 +/- 1.05   5.875% *  0.3641% (0.90  1.00   0.02   0.02) =   0.029%
          QE    LYS+  38 - HA    GLU- 100   6.45 +/- 1.09  10.401% *  0.0245% (0.06  1.00   0.02   0.02) =   0.004%
          QE    LYS+  99 - HA    GLU- 100   6.59 +/- 0.36   7.240% *  0.0220% (0.05  1.00   0.02  40.11) =   0.002%
          QE    LYS+ 102 - HA    LYS+  38  12.29 +/- 1.41   0.186% *  0.3748% (0.92  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HA    GLU- 100   8.19 +/- 0.70   2.023% *  0.0226% (0.06  1.00   0.02   0.02) =   0.001%
        T HB3   TRP   27 - HA    LYS+  38  16.88 +/- 0.47   0.024% *  0.9039% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    LYS+  38  14.06 +/- 0.55   0.073% *  0.0803% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  16.64 +/- 0.83   0.027% *  0.0546% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.59 +/- 0.46   0.237% *  0.0049% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 4.56, residual support = 160.0:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.39 +/- 0.48  59.645% * 54.8141% (1.00  10.0 10.00   4.29 164.95) =  65.680%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.72 +/- 0.64  40.243% * 42.4513% (0.77  10.0 10.00   5.07 150.46) =  34.320%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.24 +/- 0.56   0.088% *  0.0287% (0.52   1.0  1.00   0.02   0.92) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.81 +/- 1.62   0.015% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.63 +/- 1.80   0.000% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.81 +/- 2.09   0.000% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.16 +/- 1.36   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  13.63 +/- 2.50   0.003% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.48 +/- 1.25   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.71 +/- 0.82   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.99 +/- 1.06   0.002% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.97 +/- 1.48   0.001% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.13 +/- 1.10   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.72 +/- 1.20   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.07 +/- 1.88   0.000% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.04 +/- 0.80   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.06 +/- 1.18   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.48 +/- 1.47   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.33 +/- 1.54   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  25.07 +/- 1.01   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.77 +/- 2.15   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.10 +/- 1.60   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.58 +/- 0.69   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.31 +/- 0.94   0.000% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 91.5:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.33 +/- 0.09  99.987% * 99.1144% (1.00  10.0 10.00   4.23  91.51) = 100.000%  kept
          QG    GLU-  14 - HG3   GLU-  29  13.60 +/- 1.83   0.004% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  15.28 +/- 2.90   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   90 - HG3   GLU-  29  21.39 +/- 1.10   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  15.77 +/- 1.22   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  15.96 +/- 1.10   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  16.48 +/- 0.98   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.87 +/- 1.50   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  22.03 +/- 1.34   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.35 +/- 1.25   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  26.96 +/- 1.73   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 91.5:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.02  91.51) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  15.74 +/- 0.97   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.29 +/- 0.65   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.86 +/- 1.02   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.70 +/- 1.67   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  28.82 +/- 2.49   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.43 +/- 1.17   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.2:
    * O T QG    GLN   17 - HB3   GLN   17   2.37 +/- 0.14  99.986% * 98.5118% (0.76  10.0 10.00   4.31  84.24) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  11.45 +/- 1.52   0.012% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  18.75 +/- 0.75   0.000% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.74 +/- 1.24   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.94 +/- 0.97   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  21.30 +/- 2.14   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.81 +/- 1.62   0.000% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.2:
    * O T HA    GLN   17 - HB3   GLN   17   2.56 +/- 0.23  97.491% * 99.5390% (1.00  10.0 10.00   4.00  84.24) =  99.999%  kept
          HA    GLU-  15 - HB3   GLN   17   5.35 +/- 0.54   2.478% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   GLN   17  11.00 +/- 0.72   0.020% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  15.00 +/- 0.82   0.003% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  17.44 +/- 2.03   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  15.10 +/- 1.89   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  17.79 +/- 0.95   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.90 +/- 1.39   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.2:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.936% * 97.4347% (1.00  10.0 10.00   4.00  84.24) = 100.000%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.45 +/- 0.33   0.043% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17  11.92 +/- 2.68   0.007% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  11.81 +/- 1.32   0.001% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   8.61 +/- 0.90   0.010% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  12.89 +/- 2.02   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  12.89 +/- 1.23   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.80 +/- 0.99   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.53 +/- 1.49   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  19.55 +/- 1.59   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  26.41 +/- 1.66   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  22.85 +/- 1.83   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2202 (1.92, 1.92, 30.50 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  14 - HB3   GLU-  14  (1.00)  kept
          HG3   MET   11 - HG3   MET   11  (0.34)  kept
 
    Peak 2204 (1.92, 4.31, 56.62 ppm):
    12 chemical-shift based assignments, quality = 0.878, support = 3.16, residual support = 47.4:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.85 +/- 0.22  60.660% * 72.0932% (1.00  10.0 10.00   2.96  48.02) =  80.623%  kept
      O T HG3   MET   11 - HA    MET   11   3.17 +/- 0.67  39.272% * 26.7625% (0.37  10.0 10.00   4.00  44.93) =  19.377%  kept
        T HG3   MET   11 - HA    GLU-  14  10.97 +/- 0.94   0.027% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.49 +/- 1.27   0.038% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.13 +/- 1.65   0.002% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.90 +/- 1.00   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.24 +/- 2.76   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.53 +/- 1.89   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.90 +/- 2.62   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  27.76 +/- 1.36   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  32.69 +/- 2.55   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.25 +/- 2.57   0.000% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 62.0:
    * O T HB2   MET   92 - HA    MET   92   2.97 +/- 0.20  99.292% * 99.5277% (1.00  10.0 10.00   3.87  61.98) = 100.000%  kept
          HB    ILE   56 - HA    MET   92   9.32 +/- 2.28   0.228% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   8.02 +/- 0.28   0.264% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92   8.70 +/- 0.38   0.174% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  11.66 +/- 0.92   0.034% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  16.12 +/- 1.06   0.005% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  17.93 +/- 0.64   0.002% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  26.93 +/- 0.35   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  20.99 +/- 0.63   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  26.59 +/- 1.16   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  36.54 +/- 1.98   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 62.0:
    * O T HB3   MET   92 - HA    MET   92   2.65 +/- 0.13  98.548% * 99.1929% (1.00  10.0 10.00   4.23  61.98) =  99.999%  kept
          HG3   PRO   93 - HA    MET   92   5.51 +/- 0.12   1.254% *  0.0758% (0.76   1.0  1.00   0.02   1.82) =   0.001%
          QG1   ILE   56 - HA    MET   92   8.69 +/- 1.63   0.144% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  10.35 +/- 0.57   0.032% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    MET   92  11.83 +/- 1.05   0.016% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  14.30 +/- 0.60   0.004% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  19.31 +/- 1.62   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  20.99 +/- 1.73   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  20.11 +/- 0.56   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  25.25 +/- 0.82   0.000% *  0.2208% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 62.0:
    * O T HG2   MET   92 - HA    MET   92   2.75 +/- 0.45  97.495% * 99.5593% (1.00  10.0 10.00   2.49  61.98) =  99.998%  kept
          HG2   PRO   52 - HA    MET   92   5.89 +/- 1.51   2.294% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HA    MET   92   9.55 +/- 1.27   0.201% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  13.62 +/- 0.90   0.009% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  23.26 +/- 0.69   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  28.87 +/- 0.60   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  32.32 +/- 1.77   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.0:
    * O T HG3   MET   92 - HA    MET   92   3.31 +/- 0.64  98.001% * 99.3565% (1.00  10.0 10.00   3.97  61.98) =  99.999%  kept
          QG    GLN   90 - HA    MET   92   7.20 +/- 0.65   1.648% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  44 - HA    MET   92  10.18 +/- 0.47   0.191% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  11.92 +/- 0.55   0.071% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  13.29 +/- 0.80   0.042% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  13.93 +/- 0.55   0.027% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  15.31 +/- 0.84   0.016% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  22.01 +/- 0.72   0.002% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  24.78 +/- 0.95   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  23.69 +/- 1.39   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  22.33 +/- 1.24   0.002% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 1.32, residual support = 5.46:
          HB    VAL  108 - QB    LYS+ 106   4.22 +/- 0.11  97.059% * 79.8636% (0.92  1.00   1.32   5.47) =  99.964%  kept
          HB2   PRO   93 - QB    LYS+ 106   8.65 +/- 0.57   1.461% *  0.7426% (0.57  1.00   0.02   0.02) =   0.014%
        T HB2   GLN   30 - QB    LYS+ 106  14.32 +/- 0.76   0.069% * 13.1167% (1.00 10.00   0.02   0.02) =   0.012%
          HB    ILE  119 - QB    LYS+ 106  11.52 +/- 1.59   0.308% *  1.3117% (1.00  1.00   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - QB    LYS+ 106   9.96 +/- 1.75   0.942% *  0.2920% (0.22  1.00   0.02   0.02) =   0.004%
          HB3   GLU- 100 - QB    LYS+ 106  15.08 +/- 0.39   0.048% *  1.3001% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  15.52 +/- 0.94   0.043% *  1.1378% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QB    LYS+ 106  17.59 +/- 1.28   0.020% *  1.1378% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  17.90 +/- 1.20   0.019% *  0.6385% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  17.62 +/- 0.91   0.020% *  0.2297% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  19.06 +/- 0.55   0.012% *  0.2297% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 9 structures by 0.89 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 27.2:
      O   HN    ASP-  76 - HA    VAL   75   2.21 +/- 0.03  99.702% * 99.8873% (0.76  10.0   4.64  27.15) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   6.10 +/- 0.63   0.298% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  16.60 +/- 0.66   0.001% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 84.4:
      O   HN    VAL   75 - HA    VAL   75   2.93 +/- 0.00  99.466% * 99.8946% (0.90  10.0   5.27  84.38) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   7.02 +/- 0.17   0.534% *  0.1054% (0.95   1.0   0.02   0.10) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 17.8:
          HA    PHE   45 - HB    VAL   75   3.02 +/- 1.30  99.828% * 89.9031% (0.45   0.75  17.84) =  99.990%  kept
          HA    VAL   41 - HB    VAL   75  11.81 +/- 0.41   0.167% *  5.1606% (0.97   0.02   0.02) =   0.010%
          HA    HIS  122 - HB    VAL   75  20.54 +/- 1.56   0.005% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 6 structures by 0.41 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 17.8:
          QD    PHE   45 - HB    VAL   75   3.61 +/- 1.02  99.980% * 98.4846% (0.87   2.00  17.84) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  17.10 +/- 1.89   0.017% *  0.7804% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  22.43 +/- 2.66   0.003% *  0.7350% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 5 structures by 0.41 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.536, support = 0.02, residual support = 1.31:
        T HZ    PHE   72 - HB    VAL   75  14.46 +/- 0.85   3.067% * 97.5882% (0.80 10.00   0.02   0.02) =  56.147%  kept
          HZ2   TRP   27 - HB    VAL   75   7.72 +/- 0.91  96.933% *  2.4118% (0.20  1.00   0.02   2.96) =  43.853%  kept
    Distance limit 4.01 A violated in 20 structures by 3.66 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.5, residual support = 84.4:
      O   HN    VAL   75 - HB    VAL   75   2.81 +/- 0.50  99.658% * 99.9348% (0.99  10.0   4.50  84.38) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   7.87 +/- 0.28   0.342% *  0.0652% (0.65   1.0   0.02   0.10) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 17.8:
        T QE    PHE   45 - QG1   VAL   75   2.76 +/- 0.34  99.937% * 99.5846% (0.34 10.00   2.31  17.84) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75  10.02 +/- 0.50   0.055% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.63 +/- 0.82   0.009% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.8:
          QD    PHE   45 - QG1   VAL   75   2.35 +/- 0.41  99.998% * 99.5615% (1.00   2.96  17.84) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.49 +/- 1.37   0.002% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.71 +/- 1.85   0.001% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 5.13, residual support = 80.7:
          HN    VAL   75 - QG1   VAL   75   3.57 +/- 0.27  90.634% * 69.5746% (0.90   5.27  84.38) =  95.676%  kept
          HN    ASP-  78 - QG1   VAL   75   5.27 +/- 0.18   9.366% * 30.4254% (0.95   2.18   0.10) =   4.324%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 27.2:
          HN    ASP-  76 - QG1   VAL   75   2.76 +/- 0.38  99.632% * 99.1034% (0.41   4.97  27.15) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   7.33 +/- 0.63   0.347% *  0.1920% (0.20   0.02   0.02) =   0.001%
          HN    VAL  108 - QG1   VAL   75  12.19 +/- 0.81   0.021% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.5:
          HB2   CYS   21 - QG2   VAL   75   4.03 +/- 1.39  97.188% * 98.7151% (0.76   0.75   2.50) =  99.982%  kept
          QE    LYS+  81 - QG2   VAL   75   9.08 +/- 0.67   2.707% *  0.6032% (0.18   0.02   0.02) =   0.017%
          QE    LYS+ 111 - QG2   VAL   75  15.84 +/- 0.93   0.105% *  0.6817% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 6 structures by 0.78 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.686, support = 0.809, residual support = 14.1:
          HZ    PHE   45 - QG2   VAL   75   3.53 +/- 0.39  70.049% * 56.4300% (0.76   0.75  17.84) =  75.180%  kept
          HZ3   TRP   27 - QG2   VAL   75   4.23 +/- 0.87  29.951% * 43.5700% (0.45   0.99   2.96) =  24.820%  kept
    Distance limit 3.29 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 17.8:
          QE    PHE   45 - QG2   VAL   75   3.14 +/- 0.46  99.465% * 98.7242% (0.97   2.00  17.84) =  99.995%  kept
          QD    PHE   72 - QG2   VAL   75   8.14 +/- 0.59   0.479% *  1.0207% (1.00   0.02   0.02) =   0.005%
          HZ    PHE   72 - QG2   VAL   75  11.62 +/- 0.93   0.055% *  0.2551% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.792, support = 0.98, residual support = 2.92:
          HE3   TRP   27 - QG2   VAL   75   3.56 +/- 0.48  85.564% * 77.1114% (0.80   0.99   2.96) =  98.696%  kept
          HD2   HIS   22 - QG2   VAL   75   6.61 +/- 0.93   4.404% * 15.5213% (0.20   0.80   0.02) =   1.023%  kept
          HN    THR   23 - QG2   VAL   75   5.73 +/- 0.77   8.542% *  1.8868% (0.97   0.02   0.02) =   0.241%
          QE    PHE   95 - QG2   VAL   75   7.58 +/- 0.91   1.360% *  1.9164% (0.98   0.02   0.02) =   0.039%
          HD1   TRP   49 - QG2   VAL   75  11.94 +/- 0.95   0.077% *  0.6034% (0.31   0.02   0.02) =   0.001%
          HN    LEU   67 - QG2   VAL   75  13.88 +/- 0.94   0.032% *  1.2648% (0.65   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   VAL   75  14.70 +/- 0.78   0.021% *  1.6959% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.11, residual support = 84.4:
          HN    VAL   75 - QG2   VAL   75   2.72 +/- 0.55  99.641% * 99.5887% (0.90   5.11  84.38) =  99.999%  kept
          HN    ASP-  78 - QG2   VAL   75   7.50 +/- 0.23   0.359% *  0.4113% (0.95   0.02   0.10) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.09 +/- 0.39  98.504% * 48.3894% (0.61   0.02   0.02) =  98.406%  kept
          HN    VAL  108 - QG2   VAL   75  12.35 +/- 0.71   1.496% * 51.6106% (0.65   0.02   0.02) =   1.594%  kept
    Distance limit 3.91 A violated in 20 structures by 2.17 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.75, residual support = 36.4:
      O   HN    ASP-  76 - HB3   ASP-  76   2.67 +/- 0.49  99.999% * 99.4520% (0.15  10.0   3.75  36.39) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  18.61 +/- 0.66   0.001% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.72, residual support = 36.4:
      O   HN    ASP-  76 - HB2   ASP-  76   2.74 +/- 0.46  99.549% * 99.6604% (0.41  10.0   3.72  36.39) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   7.30 +/- 1.05   0.416% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  18.74 +/- 0.65   0.002% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  16.67 +/- 2.06   0.005% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  13.05 +/- 1.65   0.022% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.17 +/- 1.58   0.005% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.52 +/- 1.67   0.001% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  22.91 +/- 1.43   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  22.31 +/- 1.87   0.001% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 0.567, residual support = 0.567:
          HN    LEU   80 - HA    THR   77   4.22 +/- 0.74  99.469% * 87.4182% (0.38   0.57   0.57) =  99.969%  kept
          HN    CYSS  53 - HA    THR   77  11.93 +/- 0.70   0.347% *  4.9830% (0.61   0.02   0.02) =   0.020%
          HN    THR   26 - HA    THR   77  13.12 +/- 0.67   0.170% *  5.3147% (0.65   0.02   0.02) =   0.010%
          HN    ALA   34 - HA    THR   77  19.88 +/- 0.57   0.015% *  2.2842% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 6 structures by 0.70 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.7, residual support = 28.6:
      O   HN    ASP-  78 - HA    THR   77   3.50 +/- 0.05  98.697% * 99.8470% (0.65  10.0   4.70  28.62) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.24 +/- 0.29   1.303% *  0.1530% (0.99   1.0   0.02   0.34) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.01, residual support = 37.7:
      O   HN    THR   77 - HA    THR   77   2.76 +/- 0.03 100.000% *100.0000% (0.53  10.0   4.01  37.68) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.25, residual support = 8.45:
        T QD    PHE   45 - QG2   THR   77   2.92 +/- 0.54 100.000% *100.0000% (0.80 10.00   2.25   8.45) = 100.000%  kept
    Distance limit 3.13 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 12.0:
          HN    THR   46 - QG2   THR   77   3.05 +/- 0.45  91.637% * 98.1632% (0.87   3.60  12.02) =  99.960%  kept
          HN    MET   92 - QG2   THR   77   5.07 +/- 0.50   8.217% *  0.4322% (0.69   0.02   0.02) =   0.039%
          HN    LYS+  74 - QG2   THR   77   9.23 +/- 0.38   0.136% *  0.6167% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  14.25 +/- 0.98   0.010% *  0.3310% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  29.06 +/- 2.20   0.000% *  0.4569% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.01, residual support = 37.7:
          HN    THR   77 - QG2   THR   77   2.02 +/- 0.21 100.000% *100.0000% (0.87   4.01  37.68) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 1.5, residual support = 8.19:
          HA    ALA   20 - HB2   LYS+  74   3.00 +/- 0.55  99.906% * 98.6222% (0.61   1.50   8.19) =  99.999%  kept
          HA    LEU   71 - HB2   LYS+  74  10.35 +/- 0.77   0.094% *  1.3778% (0.64   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.19:
          HA    ALA   20 - HB3   LYS+  74   2.81 +/- 0.46  99.957% * 99.2963% (0.76   2.96   8.19) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  11.03 +/- 0.64   0.043% *  0.7037% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.6:
      O   HA    LYS+  74 - HB3   LYS+  74   2.95 +/- 0.06  99.975% * 99.8966% (0.80  10.0   6.20 187.60) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.22 +/- 0.43   0.013% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  13.24 +/- 0.52   0.013% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.4:
      O T HA    PRO   93 - HB2   PRO   93   2.73 +/- 0.00  99.998% * 99.9221% (0.49  10.0 10.00   5.98 132.36) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  17.46 +/- 1.13   0.002% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.41, support = 1.82, residual support = 1.81:
          HB3   MET   92 - HB3   PRO   93   3.50 +/- 0.11  91.743% * 75.1182% (0.41  1.00   1.82   1.82) =  99.778%  kept
          QG1   ILE   56 - HB3   PRO   93   6.11 +/- 1.28   7.931% *  1.8016% (0.90  1.00   0.02   0.02) =   0.207%
        T HD2   LYS+ 111 - HB3   PRO   93  12.24 +/- 1.57   0.071% *  6.2004% (0.31 10.00   0.02   0.02) =   0.006%
        T HB2   LEU   73 - HB3   PRO   93  13.52 +/- 0.99   0.034% * 11.3734% (0.57 10.00   0.02   0.02) =   0.006%
          HB    ILE   89 - HB3   PRO   93  10.54 +/- 0.81   0.149% *  0.7540% (0.38  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HB3   PRO   93  11.78 +/- 0.69   0.066% *  1.5352% (0.76  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HB3   PRO   93  19.75 +/- 0.67   0.003% *  1.6086% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PRO   93  20.08 +/- 0.71   0.003% *  1.6086% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 132.4:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.955% * 99.4465% (0.80  10.0   6.02 132.36) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   7.04 +/- 0.97   0.032% *  0.0853% (0.69   1.0   0.02   0.96) =   0.000%
          HB    VAL  108 - HB3   PRO   93   9.22 +/- 1.03   0.006% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.76 +/- 0.88   0.004% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93  10.71 +/- 1.21   0.002% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  13.25 +/- 1.68   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  17.52 +/- 0.98   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  24.61 +/- 1.71   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  25.29 +/- 0.47   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  34.62 +/- 1.65   0.000% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.13, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   5.13 132.36) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   6.95 +/- 0.95 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.00 A violated in 20 structures by 2.94 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 2.13, residual support = 15.0:
          QD1   ILE   19 - HG2   GLN   30   4.22 +/- 0.80  93.071% * 96.3080% (0.95   2.13  15.00) =  99.949%  kept
          QG1   VAL   43 - HG2   GLN   30   8.13 +/- 0.66   2.615% *  0.6552% (0.69   0.02   0.02) =   0.019%
          QG2   VAL   18 - HG2   GLN   30   8.89 +/- 1.06   1.770% *  0.8554% (0.90   0.02   0.02) =   0.017%
          QG1   VAL   41 - HG2   GLN   30   8.68 +/- 0.67   2.135% *  0.4643% (0.49   0.02   0.02) =   0.011%
          QG2   THR   46 - HG2   GLN   30  11.48 +/- 0.69   0.364% *  0.9205% (0.97   0.02   0.02) =   0.004%
          QD2   LEU  104 - HG2   GLN   30  16.06 +/- 1.04   0.045% *  0.7967% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 4 structures by 0.60 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.75:
        T QG2   THR   26 - HG2   GLN   30   3.12 +/- 0.41  99.697% * 87.3618% (0.61 10.00   0.75   4.75) =  99.998%  kept
        T HD3   LYS+  74 - HG2   GLN   30  11.95 +/- 0.51   0.040% *  2.1746% (0.57 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG2   GLN   30   8.84 +/- 0.58   0.251% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.08 +/- 1.20   0.003% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  22.95 +/- 2.49   0.001% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  23.79 +/- 2.12   0.001% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  18.51 +/- 1.85   0.004% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  18.20 +/- 0.95   0.003% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.60 +/- 1.51   0.000% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 6.98, residual support = 231.6:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.73 +/- 0.27  99.987% * 99.8036% (0.95  10.0 10.00   6.98 231.65) = 100.000%  kept
          QG1   VAL   42 - HB3   LYS+ 112  14.65 +/- 1.70   0.006% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   LYS+ 112  14.45 +/- 1.47   0.006% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.22, residual support = 231.6:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.61 +/- 0.24  99.994% * 99.8561% (0.73  10.0 10.00   6.22 231.65) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  16.43 +/- 1.21   0.002% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  16.78 +/- 2.33   0.004% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  27.59 +/- 2.58   0.000% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.67, residual support = 231.6:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.16 +/- 0.57  99.982% * 99.7523% (0.97  10.0   5.67 231.65) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  15.02 +/- 1.62   0.012% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  18.28 +/- 1.85   0.004% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  22.14 +/- 2.22   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  40.65 +/- 3.06   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 231.6:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.48 +/- 0.49  99.838% * 99.6310% (0.84  10.0   5.71 231.65) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.48 +/- 0.59   0.159% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  19.39 +/- 1.75   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.87 +/- 0.50   0.001% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  23.81 +/- 2.34   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  22.37 +/- 1.80   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  22.38 +/- 2.19   0.000% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  41.27 +/- 2.96   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.25, residual support = 6.0:
          HA    PHE   72 - HB    VAL   42   2.74 +/- 0.52  99.776% * 99.0376% (0.85   2.25   6.00) = 100.000%  kept
          HA    MET   96 - HB    VAL   42   8.50 +/- 0.57   0.213% *  0.2000% (0.19   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   LYS+ 112  20.29 +/- 2.36   0.003% *  0.6213% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.50 +/- 1.66   0.008% *  0.1411% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.63, residual support = 86.7:
      O   HN    VAL   42 - HB    VAL   42   2.36 +/- 0.12  94.075% * 85.0120% (0.80  10.0   5.65  87.61) =  98.947%  kept
          HN    LEU   73 - HB    VAL   42   4.08 +/- 0.60   5.779% * 14.7227% (0.80   1.0   3.46   1.80) =   1.053%  kept
          HN    ILE   19 - HB    VAL   42   7.37 +/- 0.82   0.136% *  0.0256% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.99 +/- 0.63   0.006% *  0.0596% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  13.91 +/- 1.30   0.004% *  0.0420% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.51 +/- 2.30   0.000% *  0.0600% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  21.68 +/- 2.11   0.000% *  0.0600% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.77 +/- 2.36   0.000% *  0.0181% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.327, support = 0.871, residual support = 2.15:
          QD    PHE   55 - HB2   LYS+ 112   5.38 +/- 2.45  75.217% * 15.9125% (0.12   0.99   3.17) =  58.575%  kept
          QD    PHE   60 - HB    VAL   42   8.25 +/- 1.48  11.495% * 66.2656% (0.66   0.75   0.79) =  37.280%  kept
          HE3   TRP   27 - HB    VAL   42   8.68 +/- 0.84   7.463% * 10.7047% (0.22   0.37   0.02) =   3.910%  kept
          QD    PHE   60 - HB2   LYS+ 112  12.46 +/- 1.48   1.956% *  1.2471% (0.47   0.02   0.02) =   0.119%
          HN    LYS+  66 - HB    VAL   42  10.05 +/- 0.58   2.696% *  0.6429% (0.24   0.02   0.02) =   0.085%
          HN    LYS+  66 - HB2   LYS+ 112  17.12 +/- 2.26   1.025% *  0.4537% (0.17   0.02   0.02) =   0.023%
          HN    LYS+  81 - HB    VAL   42  19.31 +/- 0.53   0.048% *  2.2918% (0.86   0.02   0.02) =   0.005%
          QD    PHE   55 - HB    VAL   42  17.98 +/- 0.92   0.068% *  0.4576% (0.17   0.02   0.02) =   0.002%
          HN    LYS+  81 - HB2   LYS+ 112  26.43 +/- 1.77   0.008% *  1.6174% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   LYS+ 112  24.41 +/- 2.10   0.025% *  0.4069% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 11 structures by 1.17 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.46, support = 0.943, residual support = 6.0:
        T QD    PHE   72 - HB    VAL   42   3.26 +/- 0.77  94.385% * 81.0766% (0.46 10.00   0.94   6.00) =  98.849%  kept
          HZ    PHE   72 - HB    VAL   42   5.86 +/- 0.66   5.143% * 17.3077% (0.78  1.00   1.18   6.00) =   1.150%  kept
          QE    PHE   45 - HB    VAL   42   8.72 +/- 0.39   0.441% *  0.1118% (0.30  1.00   0.02   0.02) =   0.001%
        T QD    PHE   72 - HB2   LYS+ 112  17.21 +/- 2.08   0.012% *  1.2174% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  18.12 +/- 2.67   0.012% *  0.2075% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.56 +/- 1.44   0.008% *  0.0789% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2273 (8.88, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.135, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA1   GLY  101   2.50 +/- 0.20  99.978% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101  10.37 +/- 1.17   0.022% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.91 +/- 0.05  99.950% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.54 +/- 0.78   0.050% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.71, residual support = 5.18:
      O   HN    SER   13 - HA    ALA   12   2.65 +/- 0.37  99.997% * 99.9813% (0.84  10.0   1.71   5.18) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  16.60 +/- 0.62   0.003% *  0.0187% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.76 +/- 0.23  99.997% * 99.8617% (0.85  10.0   2.38  12.37) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  17.62 +/- 2.41   0.002% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  27.48 +/- 1.86   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  34.39 +/- 1.80   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.3, residual support = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.73 +/- 0.22  99.987% * 99.7294% (0.46  10.0   2.30  12.37) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  14.17 +/- 2.41   0.011% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  20.88 +/- 2.45   0.001% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  21.04 +/- 3.54   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.5, residual support = 12.1:
      O   HN    ALA   12 - HA    MET   11   2.54 +/- 0.13  99.907% * 99.5700% (0.65  10.0   3.50  12.13) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.37 +/- 0.50   0.089% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  18.18 +/- 2.68   0.001% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  15.46 +/- 1.39   0.002% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.58 +/- 0.95   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.22 +/- 2.52   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  28.59 +/- 1.45   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  36.86 +/- 2.43   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.57, residual support = 12.1:
          HN    ALA   12 - HG3   MET   11   3.87 +/- 0.31  98.536% * 98.7270% (0.97   3.57  12.13) =  99.997%  kept
          HN    ALA   12 - HB3   GLU-  14   8.48 +/- 1.10   1.381% *  0.1961% (0.34   0.02   0.02) =   0.003%
          HN    ASN   35 - HB3   GLU-  14  14.03 +/- 1.51   0.068% *  0.1151% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  19.21 +/- 2.25   0.010% *  0.3241% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  21.92 +/- 1.08   0.003% *  0.0835% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  30.08 +/- 1.99   0.001% *  0.2353% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  28.65 +/- 1.31   0.001% *  0.0835% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  37.46 +/- 2.02   0.000% *  0.2353% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.67:
      O   HN    GLU-  14 - HA    SER   13   2.40 +/- 0.13  99.972% * 99.1146% (0.92  10.0   2.10   6.67) = 100.000%  kept
          HN    GLU-  14 - HA    SER   37  12.00 +/- 2.34   0.012% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.47 +/- 0.42   0.003% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  16.01 +/- 2.35   0.002% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.82 +/- 0.44   0.003% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.32 +/- 0.60   0.002% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  17.13 +/- 0.58   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  18.12 +/- 1.53   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  19.14 +/- 5.47   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  17.83 +/- 2.54   0.001% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.29 +/- 0.47   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  22.30 +/- 4.11   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  22.40 +/- 2.11   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.40 +/- 0.35   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  18.34 +/- 0.55   0.001% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  24.15 +/- 1.14   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  25.76 +/- 0.61   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  30.06 +/- 1.99   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.568, support = 0.02, residual support = 0.02:
          HN    LEU   73 - HA    THR   46  11.24 +/- 0.40  32.971% *  7.5418% (0.34   0.02   0.02) =  24.083%  kept
          HN    ILE   19 - HA    SER   13  13.66 +/- 0.94  11.080% * 21.8157% (0.99   0.02   0.02) =  23.410%  kept
          HN    ILE   19 - HA    THR   46  12.86 +/- 0.76  15.096% * 13.2032% (0.60   0.02   0.02) =  19.303%  kept
          HN    VAL   42 - HA    SER   37  12.50 +/- 0.39  17.469% *  6.6588% (0.30   0.02   0.02) =  11.266%  kept
          HN    ILE   19 - HA    SER   37  15.72 +/- 0.98   4.801% * 11.6574% (0.53   0.02   0.02) =   5.420%  kept
          HN    VAL   42 - HA    THR   46  14.68 +/- 0.27   6.604% *  7.5418% (0.34   0.02   0.02) =   4.824%  kept
          HN    VAL   42 - HA    SER   13  16.64 +/- 1.78   3.650% * 12.4613% (0.57   0.02   0.02) =   4.405%  kept
          HN    LEU   73 - HA    SER   13  16.71 +/- 1.49   3.411% * 12.4613% (0.57   0.02   0.02) =   4.117%  kept
          HN    LEU   73 - HA    SER   37  15.45 +/- 0.52   4.918% *  6.6588% (0.30   0.02   0.02) =   3.172%  kept
    Distance limit 3.31 A violated in 20 structures by 6.00 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.42, residual support = 26.6:
      O   HN    SER   37 - HB3   SER   37   2.58 +/- 0.32  99.970% * 99.5355% (0.83  10.0   3.42  26.64) = 100.000%  kept
          HN    SER   37 - QB    SER   13  12.12 +/- 2.56   0.025% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  16.65 +/- 0.59   0.002% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  16.70 +/- 1.02   0.002% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  23.08 +/- 2.26   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  24.14 +/- 0.69   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  24.75 +/- 1.60   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  27.93 +/- 1.36   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.692, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  22.31 +/- 1.05  42.801% * 22.8936% (0.69   0.02   0.02) =  52.177%  kept
          HA    TRP   87 - HB3   GLU-  14  26.65 +/- 1.23  14.990% * 33.2545% (1.00   0.02   0.02) =  26.543%  kept
          HA    LEU  104 - HB3   GLU-  14  25.21 +/- 1.36  20.680% * 12.5086% (0.38   0.02   0.02) =  13.775%  kept
          HA    PHE   59 - HG3   MET   11  31.12 +/- 1.81   6.080% *  8.1279% (0.24   0.02   0.02) =   2.632%  kept
          HA    TRP   87 - HG3   MET   11  35.06 +/- 2.25   3.047% * 11.8063% (0.35   0.02   0.02) =   1.916%  kept
          HA    ASP- 113 - HB3   GLU-  14  31.83 +/- 2.14   5.557% *  5.1424% (0.15   0.02   0.02) =   1.522%  kept
          HA    LEU  104 - HG3   MET   11  31.77 +/- 2.48   5.537% *  4.4409% (0.13   0.02   0.02) =   1.309%  kept
          HA    ASP- 113 - HG3   MET   11  40.22 +/- 2.50   1.308% *  1.8257% (0.05   0.02   0.02) =   0.127%
    Distance limit 3.51 A violated in 20 structures by 15.85 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.87, residual support = 48.0:
      O   HN    GLU-  14 - HB3   GLU-  14   3.10 +/- 0.31  99.770% * 99.5831% (0.92  10.0   3.87  48.02) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.63 +/- 1.09   0.203% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  13.13 +/- 1.42   0.022% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  21.00 +/- 3.49   0.002% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.19 +/- 1.44   0.001% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  21.17 +/- 2.55   0.001% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  27.36 +/- 2.48   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  28.14 +/- 4.33   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  26.90 +/- 1.30   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  35.64 +/- 2.64   0.000% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.86, residual support = 48.0:
      O   HN    GLU-  14 - HB2   GLU-  14   3.20 +/- 0.57  99.738% * 99.3938% (0.49  10.0   3.86  48.02) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.79 +/- 0.92   0.226% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  14.38 +/- 1.49   0.023% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  21.17 +/- 3.43   0.003% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.47 +/- 1.47   0.002% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  19.47 +/- 2.54   0.005% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  21.53 +/- 2.52   0.002% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  27.46 +/- 2.60   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  28.04 +/- 4.20   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.91 +/- 1.59   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  29.99 +/- 2.82   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  31.17 +/- 2.20   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.06, residual support = 6.05:
      O   HN    GLY   16 - HA    GLU-  15   2.67 +/- 0.11  99.985% * 99.5949% (0.97  10.0   2.06   6.05) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.88 +/- 1.38   0.010% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  15.51 +/- 1.82   0.003% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.26 +/- 1.55   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  24.73 +/- 1.21   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  23.49 +/- 0.74   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  25.76 +/- 0.88   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  23.93 +/- 0.86   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.31 +/- 1.40   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.68, residual support = 94.2:
      O   HN    ASN   28 - HA    ASN   28   2.80 +/- 0.02  99.999% * 99.8927% (0.84  10.0   5.68  94.16) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  18.60 +/- 0.79   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.375, support = 2.56, residual support = 17.0:
        T HB2   LEU   31 - HA    ASN   28   3.41 +/- 0.27  98.124% * 93.5437% (0.38 10.00   2.56  17.03) =  99.996%  kept
        T QB    ALA   84 - HA    ASN   28  11.43 +/- 0.58   0.080% *  2.4869% (1.00 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    ASN   28   7.53 +/- 0.49   1.048% *  0.0935% (0.38  1.00   0.02   0.13) =   0.001%
          HG    LEU   98 - HA    ASN   28  10.70 +/- 0.98   0.146% *  0.2405% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  10.11 +/- 0.67   0.172% *  0.1311% (0.53  1.00   0.02   2.26) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   9.79 +/- 1.45   0.307% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  13.80 +/- 0.82   0.028% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  11.77 +/- 0.59   0.067% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  24.27 +/- 2.00   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  17.12 +/- 0.75   0.007% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  16.71 +/- 1.67   0.010% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  19.08 +/- 1.19   0.004% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  19.06 +/- 1.02   0.004% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  23.29 +/- 1.37   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  26.22 +/- 1.77   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.58 +/- 2.05   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.0, residual support = 17.0:
          HG    LEU   31 - HA    ASN   28   3.43 +/- 0.97  96.225% * 97.1720% (0.61   3.00  17.03) =  99.967%  kept
          QD2   LEU   73 - HA    ASN   28   6.85 +/- 0.28   3.763% *  0.8162% (0.76   0.02   0.13) =   0.033%
          QD1   ILE   56 - HA    ASN   28  18.96 +/- 1.54   0.007% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  23.56 +/- 3.01   0.003% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  23.22 +/- 1.35   0.002% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.6, residual support = 5.21:
      O   HN    GLY   16 - HA2   GLY   16   2.87 +/- 0.13 100.000% * 99.8461% (0.97  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  23.45 +/- 1.35   0.000% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  28.49 +/- 0.85   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA2   GLY   16   3.46 +/- 0.04  99.576% * 99.5709% (0.65  10.0   3.26  16.48) = 100.000%  kept
          HD21  ASN   69 - HA2   GLY   16  10.04 +/- 1.81   0.391% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA2   GLY   16  13.91 +/- 1.22   0.028% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  24.43 +/- 1.17   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.26 +/- 0.89   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  26.49 +/- 0.98   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  27.64 +/- 0.93   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA1   GLY   16   3.24 +/- 0.05  99.544% * 99.5709% (0.65  10.0   3.26  16.48) = 100.000%  kept
          HD21  ASN   69 - HA1   GLY   16   8.95 +/- 1.68   0.425% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA1   GLY   16  13.09 +/- 1.20   0.027% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  23.21 +/- 1.43   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.69 +/- 1.13   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  25.36 +/- 1.24   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  26.49 +/- 1.07   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.6, residual support = 5.21:
      O   HN    GLY   16 - HA1   GLY   16   2.32 +/- 0.14 100.000% * 99.6694% (0.57  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  22.13 +/- 1.42   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  27.70 +/- 1.05   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  22.51 +/- 1.62   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  26.40 +/- 1.66   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.31, residual support = 84.2:
      O T HB3   GLN   17 - QG    GLN   17   2.37 +/- 0.14  95.576% * 99.0943% (0.58  10.0 10.00   4.31  84.24) =  99.999%  kept
          QB    LYS+  66 - HB    VAL   70   6.58 +/- 1.29   3.928% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB    VAL   70   6.35 +/- 0.30   0.290% *  0.0260% (0.15   1.0  1.00   0.02  32.52) =   0.000%
          QB    LYS+  65 - QG    GLN   17   9.37 +/- 1.48   0.045% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    GLN   17   9.77 +/- 1.02   0.029% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  11.45 +/- 1.52   0.012% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   9.30 +/- 0.96   0.030% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17  10.81 +/- 1.19   0.014% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.22 +/- 0.59   0.033% *  0.0066% (0.04   1.0  1.00   0.02   2.72) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  10.08 +/- 1.30   0.033% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.49 +/- 1.19   0.003% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  14.44 +/- 1.01   0.002% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  18.43 +/- 1.02   0.001% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.65 +/- 0.99   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.86 +/- 1.14   0.003% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  17.39 +/- 0.93   0.001% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  18.00 +/- 0.82   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.75 +/- 1.10   0.000% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.492, support = 5.5, residual support = 83.9:
          HN    GLN   17 - QG    GLN   17   2.49 +/- 0.50  95.109% * 88.7286% (0.49   5.50  84.24) =  99.472%  kept
          HD21  ASN   69 - HB    VAL   70   5.57 +/- 1.12   4.675% *  9.5766% (0.07   4.18  28.00) =   0.528%  kept
          HN    GLN   17 - HB    VAL   70   8.73 +/- 1.42   0.158% *  0.0661% (0.10   0.02   0.02) =   0.000%
          HN    ALA   61 - QG    GLN   17  11.82 +/- 1.09   0.021% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.74 +/- 0.99   0.014% *  0.2235% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  12.23 +/- 1.26   0.014% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  13.94 +/- 1.16   0.004% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  20.19 +/- 0.94   0.000% *  0.3992% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  17.20 +/- 0.88   0.002% *  0.0818% (0.13   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  21.48 +/- 0.85   0.000% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  22.67 +/- 0.90   0.000% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  20.05 +/- 0.66   0.001% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  17.05 +/- 0.86   0.002% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  21.56 +/- 0.71   0.000% *  0.0420% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 50.1:
          HN    VAL   18 - QG    GLN   17   3.60 +/- 0.27  99.318% * 99.7451% (0.76   5.81  50.11) = 100.000%  kept
          HN    SER   13 - QG    GLN   17   9.57 +/- 0.71   0.354% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    VAL   18 - HB    VAL   70  10.18 +/- 1.29   0.270% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  14.60 +/- 1.24   0.024% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.53 +/- 2.32   0.024% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.06 +/- 0.59   0.010% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.17, residual support = 84.2:
      O   HN    GLN   17 - HB3   GLN   17   3.24 +/- 0.28  99.922% * 99.5709% (0.65  10.0   5.17  84.24) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  12.69 +/- 1.42   0.043% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  13.38 +/- 1.45   0.029% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.88 +/- 0.90   0.005% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  23.59 +/- 0.92   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  24.94 +/- 0.74   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  25.79 +/- 0.85   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB3   GLN   17   3.74 +/- 0.07  99.861% * 99.8372% (1.00   5.47  50.11) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  11.57 +/- 0.84   0.129% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  17.78 +/- 1.39   0.010% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.2:
      O T HB3   GLN   17 - HA    GLN   17   2.56 +/- 0.23  99.619% * 99.4149% (0.76  10.0 10.00   4.00  84.24) = 100.000%  kept
          QB    LYS+  65 - HA    GLN   17   7.91 +/- 1.93   0.293% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    GLN   17   9.69 +/- 1.68   0.060% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  10.98 +/- 1.03   0.024% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  18.50 +/- 1.23   0.001% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  15.81 +/- 0.99   0.002% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  21.26 +/- 0.99   0.000% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  19.16 +/- 1.26   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  21.20 +/- 1.18   0.000% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.2:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.633% * 94.0226% (0.18  10.0 10.00   4.00  84.24) =  99.999%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.45 +/- 0.33   0.043% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   6.05 +/- 1.63   0.263% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB3   PRO   68  11.92 +/- 2.68   0.007% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   8.40 +/- 1.35   0.016% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   8.26 +/- 1.11   0.014% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   9.67 +/- 2.28   0.012% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15  10.70 +/- 1.47   0.003% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  12.26 +/- 0.74   0.001% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.46 +/- 1.37   0.003% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.77 +/- 0.90   0.001% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.76 +/- 1.77   0.002% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  18.02 +/- 1.87   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  12.97 +/- 1.12   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  14.88 +/- 1.48   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.72 +/- 0.64   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  17.49 +/- 1.21   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  21.90 +/- 1.65   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.30 +/- 1.02   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  19.26 +/- 1.26   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.70 +/- 0.86   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  21.09 +/- 1.40   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  22.47 +/- 0.84   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.07 +/- 1.27   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.65 +/- 1.20   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.75 +/- 1.04   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  22.26 +/- 1.01   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 35.9:
      O   HA    PRO   68 - HB3   PRO   68   2.39 +/- 0.17  98.570% * 99.9155% (0.19  10.0   2.96  35.93) =  99.999%  kept
          HA    PRO   68 - QB    GLU-  15   6.97 +/- 1.85   1.400% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - HB2   GLN   17  10.99 +/- 2.14   0.030% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB2   GLN   17   2.38 +/- 0.17  99.565% * 97.9597% (0.24   5.47  50.11) =  99.999%  kept
          HN    VAL   18 - QB    GLU-  15   8.00 +/- 0.29   0.084% *  0.4019% (0.27   0.02   0.02) =   0.000%
          HN    SER   13 - QB    GLU-  15   6.80 +/- 0.86   0.323% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    VAL   18 - HB3   PRO   68  12.38 +/- 2.16   0.010% *  0.8983% (0.61   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  15.73 +/- 3.95   0.011% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  12.65 +/- 0.61   0.005% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  14.64 +/- 1.39   0.002% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  17.01 +/- 1.00   0.001% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.54 +/- 1.33   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.55 +/- 0.08  99.999% * 99.9233% (0.84  10.0   5.47  50.11) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  17.78 +/- 0.93   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  24.88 +/- 0.59   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.22, residual support = 2.43:
        T QB    ALA   64 - HA    GLN   17   4.56 +/- 1.09  96.652% * 97.4081% (0.69 10.00   1.22   2.43) =  99.960%  kept
        T QG1   VAL   42 - HA    GLN   17   8.71 +/- 0.84   3.255% *  1.1335% (0.49 10.00   0.02   0.02) =   0.039%
        T QB    ALA   47 - HA    GLN   17  17.07 +/- 0.88   0.071% *  1.4124% (0.61 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    GLN   17  21.53 +/- 2.66   0.022% *  0.0461% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 13 structures by 1.57 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 77.2:
      O   HN    VAL   18 - HB    VAL   18   2.25 +/- 0.28  99.999% * 99.9233% (0.84  10.0   4.99  77.20) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.16 +/- 0.49   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  21.41 +/- 0.50   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.489, support = 0.75, residual support = 2.94:
        T HB2   PHE   72 - HA    VAL   18   2.58 +/- 0.61  97.456% * 82.4014% (0.49 10.00   0.75   2.91) =  99.478%  kept
          HA    ALA   64 - HA    VAL   18   6.19 +/- 1.14   2.542% * 16.5936% (0.98  1.00   0.75   8.54) =   0.522%  kept
        T HB3   ASN   35 - HA    VAL   18  17.06 +/- 0.97   0.003% *  1.0051% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.88, residual support = 23.4:
      O   HN    ILE   19 - HA    VAL   18   2.25 +/- 0.03  99.533% * 99.7159% (0.73  10.0   4.88  23.45) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.70 +/- 0.42   0.430% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   8.57 +/- 0.64   0.036% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.91 +/- 0.80   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.621, support = 0.0199, residual support = 0.0199:
          HG    LEU   73 - QG1   VAL   18   6.65 +/- 0.78  20.584% *  8.7275% (0.61   0.02   0.02) =  31.409%  kept
          HG    LEU   67 - QG1   VAL   18   7.54 +/- 1.46  12.466% * 14.3572% (1.00   0.02   0.02) =  31.292%  kept
          QB    ALA   61 - QG1   VAL   18   5.76 +/- 0.97  44.202% *  2.2202% (0.15   0.02   0.02) =  17.158%  kept
          HB3   LEU   67 - QG1   VAL   18   7.11 +/- 1.32  15.988% *  3.5880% (0.25   0.02   0.02) =  10.029%  kept
          QG    LYS+  66 - QG1   VAL   18   9.29 +/- 1.14   3.042% *  5.9156% (0.41   0.02   0.02) =   3.146%  kept
          HG    LEU   40 - QG1   VAL   18  10.53 +/- 0.98   1.194% * 14.2618% (0.99   0.02   0.02) =   2.977%  kept
          HB3   LEU   40 - QG1   VAL   18  10.56 +/- 1.38   1.258% *  6.4511% (0.45   0.02   0.02) =   1.419%  kept
          HB3   LEU  115 - QG1   VAL   18  12.08 +/- 1.02   0.494% * 14.2618% (0.99   0.02   0.02) =   1.232%  kept
          HG    LEU  115 - QG1   VAL   18  12.26 +/- 1.35   0.492% *  9.8840% (0.69   0.02   0.02) =   0.850%  kept
          QB    ALA  120 - QG1   VAL   18  13.26 +/- 0.54   0.242% *  9.8840% (0.69   0.02   0.02) =   0.418%
          HG2   LYS+ 102 - QG1   VAL   18  18.07 +/- 1.23   0.038% * 10.4487% (0.73   0.02   0.02) =   0.070%
    Distance limit 2.86 A violated in 20 structures by 1.90 A, eliminated.
    Peak unassigned.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.487, support = 2.96, residual support = 9.44:
        T QB    ALA   34 - QG1   VAL   41   2.02 +/- 0.30  99.820% * 97.8928% (0.49 10.00   2.96   9.44) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18   9.94 +/- 0.53   0.010% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.30 +/- 0.86   0.077% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   9.18 +/- 1.19   0.026% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  10.52 +/- 1.14   0.009% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.89 +/- 0.94   0.011% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  14.51 +/- 1.88   0.001% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  13.13 +/- 0.72   0.002% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.97 +/- 0.48   0.002% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  12.36 +/- 0.52   0.003% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.32 +/- 0.80   0.026% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  15.54 +/- 0.69   0.001% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.72 +/- 1.03   0.007% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  18.14 +/- 0.81   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  12.38 +/- 0.87   0.003% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.08 +/- 0.94   0.001% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.19 +/- 1.87   0.001% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  18.64 +/- 1.04   0.000% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.91, residual support = 73.8:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  90.887% * 97.9411% (0.84  10.0 10.00   3.91  73.83) =  99.997%  kept
          HB2   LEU   71 - QG1   VAL   41   4.35 +/- 0.55   1.770% *  0.0805% (0.69   1.0  1.00   0.02   4.41) =   0.002%
          QB    LYS+ 102 - QD2   LEU  104   3.77 +/- 0.75   6.010% *  0.0053% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG2   VAL   18   8.09 +/- 2.40   0.298% *  0.0651% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   7.11 +/- 0.97   0.089% *  0.0979% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   6.96 +/- 0.57   0.085% *  0.0805% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   18   5.67 +/- 0.57   0.321% *  0.0177% (0.15   1.0  1.00   0.02  50.11) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   7.51 +/- 1.14   0.092% *  0.0526% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   9.39 +/- 2.10   0.047% *  0.0865% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  11.95 +/- 0.88   0.003% *  0.7485% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.86 +/- 0.98   0.347% *  0.0043% (0.04   1.0  1.00   0.02  36.59) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.86 +/- 0.63   0.019% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  11.99 +/- 0.93   0.003% *  0.1132% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.08 +/- 1.19   0.003% *  0.0878% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  14.32 +/- 0.48   0.001% *  0.0851% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.81 +/- 0.57   0.000% *  0.1149% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.76 +/- 0.81   0.001% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.51 +/- 1.02   0.008% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  11.23 +/- 1.29   0.005% *  0.0061% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.97 +/- 0.79   0.000% *  0.0748% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  15.45 +/- 1.17   0.001% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  15.89 +/- 1.53   0.001% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.42 +/- 0.94   0.001% *  0.0232% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  17.19 +/- 2.49   0.000% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  13.38 +/- 3.21   0.002% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.62 +/- 1.25   0.001% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  21.20 +/- 0.70   0.000% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  16.36 +/- 0.96   0.000% *  0.0062% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.84 +/- 1.10   0.000% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.81 +/- 1.35   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.641, support = 1.95, residual support = 9.65:
          HB3   LEU   40 - QG1   VAL   41   5.26 +/- 0.27   3.321% * 83.7657% (0.46   3.80  19.75) =  48.819%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.68 +/- 3.14  27.237% *  8.3866% (0.76   0.23   0.02) =  40.083%  kept
          HB2   LYS+  74 - QG2   VAL   18   3.80 +/- 1.53  66.399% *  0.9425% (0.99   0.02   0.02) =  10.981%  kept
          QG2   THR   26 - QG2   VAL   18   7.78 +/- 1.28   0.390% *  0.7943% (0.84   0.02   0.02) =   0.054%
          HB3   LEU   40 - QD2   LEU  104   6.67 +/- 1.25   1.545% *  0.0886% (0.09   0.02   0.02) =   0.024%
          HD2   LYS+ 121 - QD2   LEU  104   8.78 +/- 3.99   0.662% *  0.1004% (0.11   0.02   0.02) =   0.012%
          QG2   THR   26 - QG1   VAL   41   9.67 +/- 0.55   0.083% *  0.6070% (0.64   0.02   0.02) =   0.009%
          QD    LYS+  66 - QG2   VAL   18  10.78 +/- 2.21   0.130% *  0.2935% (0.31   0.02   0.02) =   0.007%
          HB3   LEU   40 - QG2   VAL   18  11.97 +/- 1.33   0.030% *  0.5767% (0.61   0.02   0.02) =   0.003%
          HB2   LYS+  74 - QG1   VAL   41  12.14 +/- 0.65   0.020% *  0.7203% (0.76   0.02   0.02) =   0.003%
          HG    LEU  115 - QG2   VAL   18  13.20 +/- 1.59   0.018% *  0.3569% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG1   VAL   41  14.28 +/- 3.06   0.011% *  0.4992% (0.52   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  10.47 +/- 2.40   0.075% *  0.0548% (0.06   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  14.35 +/- 1.26   0.010% *  0.3569% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  16.55 +/- 1.85   0.004% *  0.6532% (0.69   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG1   VAL   41  13.52 +/- 1.13   0.011% *  0.2243% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  16.09 +/- 0.85   0.004% *  0.5554% (0.58   0.02   0.02) =   0.000%
          QB    ALA  120 - QG1   VAL   41  14.55 +/- 1.67   0.008% *  0.2727% (0.29   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  12.37 +/- 1.63   0.021% *  0.0451% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  17.03 +/- 1.09   0.003% *  0.2727% (0.29   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.58 +/- 0.92   0.005% *  0.1220% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  16.83 +/- 1.00   0.003% *  0.1448% (0.15   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  14.64 +/- 1.17   0.007% *  0.0548% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.35 +/- 1.33   0.003% *  0.1117% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.857, support = 0.0198, residual support = 0.0198:
        T HA    ALA   61 - QG2   VAL   18   5.98 +/- 2.13  77.111% * 46.5616% (0.87 10.00   0.02   0.02) =  97.833%  kept
          HD2   PRO   68 - QG1   VAL   41  10.79 +/- 0.83   5.104% *  4.0210% (0.75  1.00   0.02   0.02) =   0.559%  kept
        T HA    ALA   61 - QG1   VAL   41  15.06 +/- 0.76   0.573% * 35.5837% (0.66 10.00   0.02   0.02) =   0.555%  kept
          HD2   PRO   68 - QG2   VAL   18  10.66 +/- 1.77   3.228% *  5.2615% (0.98  1.00   0.02   0.02) =   0.463%
          HA    VAL   24 - QG2   VAL   18  12.16 +/- 1.16   3.572% *  2.6128% (0.49  1.00   0.02   0.02) =   0.254%
          HA    VAL   24 - QG1   VAL   41  11.53 +/- 0.64   2.962% *  1.9968% (0.37  1.00   0.02   0.02) =   0.161%
          HD3   PRO   58 - QG2   VAL   18  11.24 +/- 1.19   2.762% *  1.0623% (0.20  1.00   0.02   0.02) =   0.080%
          HD2   PRO   68 - QD2   LEU  104  11.37 +/- 1.37   3.524% *  0.8085% (0.15  1.00   0.02   0.02) =   0.078%
          HA    ALA   61 - QD2   LEU  104  16.40 +/- 1.02   0.391% *  0.7155% (0.13  1.00   0.02   0.02) =   0.008%
          HD3   PRO   58 - QG1   VAL   41  18.69 +/- 1.30   0.221% *  0.8118% (0.15  1.00   0.02   0.02) =   0.005%
          HA    VAL   24 - QD2   LEU  104  17.73 +/- 1.12   0.259% *  0.4015% (0.07  1.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - QD2   LEU  104  18.03 +/- 1.73   0.294% *  0.1632% (0.03  1.00   0.02   0.02) =   0.001%
    Distance limit 2.84 A violated in 16 structures by 3.08 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.11, residual support = 73.8:
      O T HA    VAL   41 - QG1   VAL   41   2.57 +/- 0.22  99.216% * 98.8372% (0.65  10.0 10.00   4.11  73.83) =  99.999%  kept
        T HA    VAL   41 - QG2   VAL   18  10.32 +/- 0.69   0.036% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   18   8.34 +/- 1.06   0.129% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.56 +/- 0.95   0.090% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.42 +/- 0.34   0.009% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   8.58 +/- 4.97   0.499% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  12.90 +/- 4.05   0.015% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  15.13 +/- 1.89   0.004% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.56 +/- 0.84   0.002% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.956, support = 0.0278, residual support = 0.02:
          QD    PHE   60 - QG1   VAL   18   4.10 +/- 1.05  92.057% * 19.7986% (1.00   0.02   0.02) =  91.798%  kept
          HN    LYS+  66 - QG1   VAL   18   7.82 +/- 1.01   6.361% * 13.5998% (0.69   0.02   0.02) =   4.357%  kept
          QE    PHE   59 - QG1   VAL   18   8.62 +/- 1.97   1.497% * 50.0643% (0.22   0.23   0.02) =   3.774%  kept
          HN    LYS+  81 - QG1   VAL   18  15.11 +/- 0.56   0.085% * 16.5372% (0.84   0.02   0.02) =   0.071%
    Distance limit 3.02 A violated in 9 structures by 1.07 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 77.2:
          HN    VAL   18 - QG1   VAL   18   3.43 +/- 0.21  99.977% * 99.8233% (0.92   5.49  77.20) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  14.07 +/- 0.60   0.023% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.336, support = 0.0199, residual support = 0.0199:
          HN    LYS+  74 - QG1   VAL   18   4.69 +/- 0.49  96.763% * 13.9681% (0.31   0.02   0.02) =  92.709%  kept
          HN    THR   46 - QG1   VAL   18   8.50 +/- 0.58   3.031% * 32.8624% (0.73   0.02   0.02) =   6.832%  kept
          HN    MET   92 - QG1   VAL   18  14.30 +/- 0.96   0.146% * 40.5867% (0.90   0.02   0.02) =   0.407%
          HN    ASP- 113 - QG1   VAL   18  16.90 +/- 1.39   0.060% * 12.5828% (0.28   0.02   0.02) =   0.052%
    Distance limit 3.45 A violated in 15 structures by 1.21 A, eliminated.
    Peak unassigned.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.88, residual support = 23.4:
          HN    ILE   19 - QG1   VAL   18   2.87 +/- 0.39  89.339% * 99.8062% (0.84   4.88  23.45) =  99.988%  kept
          HN    LEU   73 - QG1   VAL   18   4.41 +/- 0.61  10.289% *  0.0969% (0.20   0.02   0.02) =   0.011%
          HN    VAL   42 - QG1   VAL   18   7.46 +/- 0.72   0.372% *  0.0969% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.813, support = 0.0196, residual support = 0.0196:
          QD    PHE   60 - QG2   VAL   18   5.10 +/- 0.95  78.207% * 13.8337% (0.80   0.02   0.02) =  79.181%  kept
          HN    LYS+  66 - QG2   VAL   18   8.79 +/- 2.44  13.959% * 16.9341% (0.98   0.02   0.02) =  17.300%  kept
          QE    PHE   59 - QG2   VAL   18   9.68 +/- 1.65   2.265% *  9.7810% (0.57   0.02   0.02) =   1.621%  kept
          QD    PHE   60 - QG1   VAL   41  12.13 +/- 1.19   0.581% * 10.5721% (0.61   0.02   0.02) =   0.449%
          QE    PHE   59 - QG1   VAL   41  12.44 +/- 2.68   0.817% *  7.4749% (0.43   0.02   0.02) =   0.447%
          HN    PHE   59 - QG2   VAL   18  10.51 +/- 1.32   1.065% *  3.8463% (0.22   0.02   0.02) =   0.300%
          HN    LYS+  66 - QG1   VAL   41  13.65 +/- 0.61   0.257% * 12.9415% (0.75   0.02   0.02) =   0.243%
          QE    PHE   59 - QD2   LEU  104  10.93 +/- 2.65   1.779% *  1.5030% (0.09   0.02   0.02) =   0.196%
          HN    LYS+  81 - QG2   VAL   18  15.16 +/- 1.26   0.179% *  7.7455% (0.45   0.02   0.02) =   0.102%
          HN    LYS+  66 - QD2   LEU  104  13.81 +/- 1.36   0.295% *  2.6021% (0.15   0.02   0.02) =   0.056%
          QD    PHE   60 - QD2   LEU  104  13.50 +/- 1.18   0.327% *  2.1257% (0.12   0.02   0.02) =   0.051%
          HN    LYS+  81 - QG1   VAL   41  16.90 +/- 0.63   0.074% *  5.9193% (0.34   0.02   0.02) =   0.032%
          HN    PHE   59 - QG1   VAL   41  17.28 +/- 1.31   0.071% *  2.9394% (0.17   0.02   0.02) =   0.015%
          HN    PHE   59 - QD2   LEU  104  16.45 +/- 1.75   0.105% *  0.5910% (0.03   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD2   LEU  104  21.24 +/- 0.91   0.021% *  1.1902% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.08 A violated in 17 structures by 1.78 A, eliminated.
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.3, residual support = 77.2:
          HN    VAL   18 - QG2   VAL   18   2.81 +/- 0.55  99.401% * 98.1554% (0.61   5.30  77.20) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   7.68 +/- 0.67   0.362% *  0.1164% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.39 +/- 0.62   0.103% *  0.3390% (0.55   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  12.71 +/- 1.14   0.024% *  0.4436% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  10.89 +/- 1.05   0.064% *  0.1523% (0.25   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  13.16 +/- 0.65   0.014% *  0.2832% (0.46   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  13.75 +/- 0.56   0.011% *  0.1441% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  16.88 +/- 0.99   0.004% *  0.1885% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  17.03 +/- 1.01   0.003% *  0.0682% (0.11   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.28 +/- 1.26   0.003% *  0.0569% (0.09   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.38 +/- 1.01   0.006% *  0.0234% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.75 +/- 1.05   0.004% *  0.0290% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.49, residual support = 73.8:
          HN    VAL   41 - QG1   VAL   41   2.16 +/- 0.33  99.262% * 98.4746% (0.14   4.49  73.83) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.35 +/- 0.93   0.637% *  0.0236% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.58 +/- 0.22   0.090% *  0.0345% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  11.73 +/- 0.60   0.005% *  0.6417% (0.20   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  12.31 +/- 0.74   0.004% *  0.3353% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  15.27 +/- 0.90   0.001% *  0.4904% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.33, residual support = 87.3:
          HN    VAL   83 - QG1   VAL   83   2.42 +/- 0.36  99.946% * 98.5337% (0.36   5.33  87.34) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83  10.74 +/- 2.02   0.049% *  0.1779% (0.17   0.02   0.02) =   0.000%
          HN    CYSS  50 - QG1   VAL   83  15.03 +/- 0.69   0.002% *  0.7796% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  14.69 +/- 0.63   0.003% *  0.5088% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.545, residual support = 0.744:
        T QG2   VAL   24 - QG1   VAL   83   2.12 +/- 0.41  71.332% * 67.9152% (0.46 10.00   0.41   0.74) =  87.531%  kept
          QG1   VAL   24 - QG1   VAL   83   2.75 +/- 0.78  28.666% * 24.0739% (0.46  1.00   1.47   0.74) =  12.469%  kept
        T QG1   VAL  107 - QG1   VAL   83  14.56 +/- 0.93   0.001% *  5.4125% (0.75 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QG1   VAL   83  17.87 +/- 1.55   0.000% *  2.3418% (0.33 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG1   VAL   83  23.57 +/- 1.33   0.000% *  0.2565% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.465, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.05 +/- 0.50  14.452% * 27.9530% (0.14 10.00   0.02   0.02) =  38.474%  kept
          HB3   PHE   97 - HA    ILE   19  16.38 +/- 1.10  13.782% * 19.0666% (0.92  1.00   0.02   0.02) =  25.026%  kept
          QG    GLU-  79 - HA    ILE   19  12.60 +/- 1.07  60.857% *  3.1869% (0.15  1.00   0.02   0.02) =  18.472%  kept
          HB2   PRO   58 - HA    ILE   19  18.85 +/- 1.34   6.361% * 19.0666% (0.92  1.00   0.02   0.02) =  11.551%  kept
          HB2   GLU- 100 - HA    ILE   19  21.01 +/- 0.80   3.077% * 14.1878% (0.69  1.00   0.02   0.02) =   4.158%  kept
          HB2   GLN  116 - HA    ILE   19  24.22 +/- 1.81   1.472% * 16.5389% (0.80  1.00   0.02   0.02) =   2.318%  kept
    Distance limit 3.71 A violated in 20 structures by 7.83 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.04, residual support = 25.5:
      O   HN    ALA   20 - HA    ILE   19   2.24 +/- 0.05  99.997% * 99.9363% (0.73  10.0   5.04  25.47) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  12.86 +/- 0.41   0.003% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  21.73 +/- 1.42   0.000% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.6, residual support = 172.4:
      O   HN    ILE   19 - HA    ILE   19   2.90 +/- 0.02  99.515% * 99.8764% (0.98  10.0   6.60 172.42) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   7.20 +/- 0.30   0.432% *  0.0618% (0.61   1.0   0.02   4.00) =   0.000%
          HN    VAL   42 - HA    ILE   19  10.28 +/- 0.53   0.052% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HB    ILE   19   2.62 +/- 0.69 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.81, residual support = 172.4:
      O   HN    ILE   19 - HB    ILE   19   2.45 +/- 0.20  97.561% * 99.6598% (0.65  10.0   5.81 172.42) =  99.996%  kept
          HN    LEU   73 - HB    ILE   19   4.93 +/- 0.61   2.308% *  0.1487% (0.97   1.0   0.02   4.00) =   0.004%
          HN    VAL   42 - HB    ILE   19   7.67 +/- 0.53   0.130% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  18.71 +/- 0.73   0.001% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 172.4:
      O   HG13  ILE   19 - QG2   ILE   19   2.82 +/- 0.29  98.325% * 98.1968% (0.28  10.0   4.89 172.42) =  99.996%  kept
          QB    ALA   34 - QG2   ILE   19   7.11 +/- 0.34   0.465% *  0.3501% (0.99   1.0   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   ILE   19   7.55 +/- 0.78   0.380% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   THR   39 - QG2   ILE   19   8.15 +/- 0.77   0.236% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   7.24 +/- 0.74   0.567% *  0.0478% (0.14   1.0   0.02   6.31) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  13.15 +/- 1.42   0.012% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  14.98 +/- 0.48   0.005% *  0.3064% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  15.81 +/- 0.63   0.004% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  15.20 +/- 1.03   0.005% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 16.64 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.44, residual support = 172.4:
      O   HG12  ILE   19 - QG2   ILE   19   3.00 +/- 0.20  87.608% * 99.0974% (0.95  10.0  1.00   5.44 172.42) =  99.993%  kept
          HG    LEU   73 - QG2   ILE   19   4.76 +/- 0.71   8.447% *  0.0551% (0.53   1.0  1.00   0.02   4.00) =   0.005%
          HB3   LYS+  74 - QG2   ILE   19   5.46 +/- 0.68   3.621% *  0.0393% (0.38   1.0  1.00   0.02   6.31) =   0.002%
          HG    LEU   80 - QG2   ILE   19   9.77 +/- 0.76   0.087% *  0.1038% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  10.56 +/- 1.42   0.078% *  0.0940% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  11.14 +/- 0.74   0.039% *  0.1835% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   ILE   19  10.99 +/- 1.29   0.053% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  10.80 +/- 0.90   0.047% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.72 +/- 1.43   0.014% *  0.0761% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  16.14 +/- 1.09   0.004% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.94 +/- 1.01   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  19.86 +/- 1.75   0.001% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.79, support = 4.84, residual support = 169.5:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.02  62.195% * 96.2824% (0.80  10.0   4.89 172.42) =  98.139%  kept
          HG3   GLN   30 - QG2   ILE   19   2.45 +/- 0.61  37.707% *  3.0116% (0.22   1.0   2.25  15.00) =   1.861%  kept
          HB2   GLN   17 - QG2   ILE   19   7.00 +/- 0.33   0.052% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   7.55 +/- 0.74   0.037% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19   9.79 +/- 0.50   0.007% *  0.1200% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  13.73 +/- 0.96   0.001% *  0.0873% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  13.78 +/- 1.40   0.001% *  0.0681% (0.57   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  18.07 +/- 1.04   0.000% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.43 +/- 1.16   0.000% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 15.0:
          HG2   GLN   30 - QG2   ILE   19   3.15 +/- 0.36  99.836% * 96.5701% (0.65   2.13  15.00) =  99.999%  kept
          HB3   ASN   28 - QG2   ILE   19   9.57 +/- 0.55   0.135% *  0.5752% (0.41   0.02   0.02) =   0.001%
          HB3   HIS  122 - QG2   ILE   19  16.16 +/- 1.87   0.008% *  1.2137% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   ILE   19  18.22 +/- 1.65   0.004% *  1.3960% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  13.66 +/- 0.84   0.017% *  0.2450% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 172.4:
      O   HA    ILE   19 - QG2   ILE   19   2.49 +/- 0.25  99.955% * 99.7522% (0.92  10.0   5.74 172.42) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.50 +/- 0.42   0.041% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    CYSS  53 - QG2   ILE   19  15.81 +/- 0.83   0.002% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  16.46 +/- 0.87   0.002% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.68, residual support = 25.5:
          HN    ALA   20 - QG2   ILE   19   2.54 +/- 0.35  99.964% * 97.9095% (0.31   3.68  25.47) = 100.000%  kept
          HN    PHE   45 - QG2   ILE   19  10.62 +/- 0.61   0.035% *  1.2515% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QG2   ILE   19  18.47 +/- 1.29   0.001% *  0.8389% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.75, residual support = 172.3:
          HN    ILE   19 - QG2   ILE   19   3.59 +/- 0.30  92.044% * 98.8267% (0.65   5.75 172.42) =  99.955%  kept
          HN    LEU   73 - QG2   ILE   19   5.60 +/- 0.54   6.891% *  0.5128% (0.97   0.02   4.00) =   0.039%
          HN    VAL   42 - QG2   ILE   19   7.68 +/- 0.53   1.056% *  0.5128% (0.97   0.02   0.02) =   0.006%
          HN    LYS+ 106 - QG2   ILE   19  17.07 +/- 0.63   0.008% *  0.1477% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.508, support = 0.0199, residual support = 0.21:
          QD2   LEU   67 - HG13  ILE   19   9.08 +/- 2.84  20.552% * 39.2581% (0.69   0.02   0.02) =  65.967%  kept
          QD1   LEU   40 - HG    LEU   71   7.05 +/- 0.93  46.679% *  3.3680% (0.06   0.02   1.50) =  12.854%  kept
          QD2   LEU   67 - HG    LEU   71   8.03 +/- 2.03  25.562% *  5.6275% (0.10   0.02   0.02) =  11.761%  kept
          QD1   LEU   40 - HG13  ILE   19  10.68 +/- 1.52   4.372% * 23.4959% (0.41   0.02   0.02) =   8.399%  kept
          QG2   ILE  119 - HG13  ILE   19  15.51 +/- 1.65   0.407% * 15.8904% (0.28   0.02   0.02) =   0.529%  kept
          QD1   ILE  103 - HG13  ILE   19  16.22 +/- 1.15   0.315% *  8.8183% (0.15   0.02   0.02) =   0.227%
          QD1   ILE  103 - HG    LEU   71  12.94 +/- 1.12   1.578% *  1.2641% (0.02   0.02   0.02) =   0.163%
          QG2   ILE  119 - HG    LEU   71  15.04 +/- 1.77   0.534% *  2.2778% (0.04   0.02   0.02) =   0.100%
    Distance limit 2.96 A violated in 20 structures by 2.91 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.644, support = 5.79, residual support = 171.4:
          HN    ILE   19 - HG13  ILE   19   3.10 +/- 0.73  86.491% * 93.0947% (0.65   5.82 172.42) =  99.367%  kept
          HN    VAL   42 - HG    LEU   71   5.29 +/- 0.57   8.886% *  5.6784% (0.14   1.66   5.64) =   0.623%  kept
          HN    LEU   73 - HG13  ILE   19   6.84 +/- 1.02   1.018% *  0.4776% (0.97   0.02   4.00) =   0.006%
          HN    LEU   73 - HG    LEU   71   7.03 +/- 0.95   2.222% *  0.0685% (0.14   0.02   0.02) =   0.002%
          HN    VAL   42 - HG13  ILE   19   8.95 +/- 1.26   0.249% *  0.4776% (0.97   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   71   7.57 +/- 0.89   1.128% *  0.0459% (0.09   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  20.26 +/- 1.26   0.002% *  0.1376% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  17.52 +/- 0.81   0.005% *  0.0197% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.25, residual support = 15.0:
          HE22  GLN   30 - QG2   ILE   19   3.46 +/- 0.42  99.676% * 97.4789% (0.41   2.25  15.00) =  99.998%  kept
          QE    PHE   45 - QG2   ILE   19   9.51 +/- 0.71   0.291% *  0.4173% (0.20   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG2   ILE   19  14.04 +/- 0.93   0.032% *  2.1038% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.07, residual support = 15.0:
          HE21  GLN   30 - QG2   ILE   19   3.25 +/- 0.48  99.663% * 97.4859% (1.00   2.07  15.00) =  99.997%  kept
          HD1   TRP   27 - QG2   ILE   19   8.84 +/- 0.59   0.304% *  0.8205% (0.87   0.02   0.02) =   0.003%
          QD    PHE   59 - QG2   ILE   19  13.36 +/- 1.29   0.031% *  0.8205% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  20.41 +/- 1.57   0.002% *  0.8732% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.13, residual support = 15.0:
          HE22  GLN   30 - QD1   ILE   19   3.97 +/- 1.26  99.813% * 93.6976% (0.25   2.13  15.00) =  99.996%  kept
          HN    CYSS  50 - QD1   ILE   19  17.75 +/- 0.85   0.049% *  2.8213% (0.80   0.02   0.02) =   0.001%
          HN    VAL   83 - QD1   ILE   19  15.54 +/- 0.94   0.099% *  1.2018% (0.34   0.02   0.02) =   0.001%
          HN    TRP   49 - QD1   ILE   19  18.43 +/- 0.98   0.039% *  2.2793% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 5 structures by 0.48 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  17.29 +/- 0.85 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.88 A violated in 20 structures by 13.41 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.84, residual support = 25.5:
          HA    ILE   19 - QB    ALA   20   3.88 +/- 0.04  99.770% * 98.7239% (0.92   3.84  25.47) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  11.47 +/- 0.28   0.152% *  0.5564% (1.00   0.02   0.02) =   0.001%
          HA    CYSS  53 - QB    ALA   20  13.87 +/- 1.09   0.060% *  0.3822% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  16.31 +/- 0.66   0.019% *  0.3375% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.859, support = 0.02, residual support = 6.95:
          QE    LYS+  74 - QB    ALA   20   5.72 +/- 1.09  78.626% * 25.4326% (0.90   0.02   8.19) =  84.822%  kept
          HB2   PHE   72 - QB    ALA   20   7.87 +/- 0.57  14.603% * 16.0552% (0.57   0.02   0.02) =   9.945%  kept
          QB    CYSS  50 - QB    ALA   20  10.47 +/- 1.20   4.009% * 26.1780% (0.92   0.02   0.02) =   4.452%  kept
          HB3   ASP-  78 - QB    ALA   20  10.74 +/- 0.88   2.552% *  4.9664% (0.18   0.02   0.02) =   0.538%  kept
          HB3   ASN   69 - QB    ALA   20  16.03 +/- 0.77   0.210% * 27.3678% (0.97   0.02   0.02) =   0.243%
    Distance limit 3.55 A violated in 17 structures by 1.95 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.92, support = 2.09, residual support = 5.16:
          HD2   HIS   22 - QB    ALA   20   3.09 +/- 0.67  97.410% * 71.0155% (0.92   2.09   5.21) =  99.097%  kept
          HN    THR   23 - QB    ALA   20   6.19 +/- 0.22   2.354% * 26.7371% (0.53   1.38   0.02) =   0.901%  kept
          QE    PHE   95 - QB    ALA   20  10.86 +/- 1.06   0.156% *  0.3581% (0.49   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   20  13.40 +/- 1.46   0.046% *  0.6597% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   49 - QB    ALA   20  14.14 +/- 1.41   0.018% *  0.7291% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   20  16.32 +/- 0.74   0.009% *  0.3870% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  16.72 +/- 1.37   0.008% *  0.1135% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.76, residual support = 14.7:
          HN    CYS   21 - QB    ALA   20   3.51 +/- 0.02  99.913% * 99.1004% (0.95   3.76  14.70) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.15 +/- 0.37   0.059% *  0.3376% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  16.20 +/- 0.58   0.011% *  0.1718% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.62 +/- 0.93   0.005% *  0.2928% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.85 +/- 0.49   0.012% *  0.0975% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.73, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.19 +/- 0.09  99.991% * 99.6086% (0.31  10.0   3.73  15.23) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.54 +/- 0.43   0.008% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  17.88 +/- 1.26   0.000% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.464, support = 0.02, residual support = 0.02:
          QB    LYS+  33 - HB2   CYS   21  10.01 +/- 0.84  49.230% *  4.7734% (0.34   0.02   0.02) =  42.609%  kept
          HB    VAL   41 - HB2   CYS   21  12.01 +/- 0.82  16.973% *  9.0526% (0.65   0.02   0.02) =  27.860%  kept
          QB    LYS+  81 - HB2   CYS   21  12.65 +/- 1.23  13.922% *  3.1155% (0.22   0.02   0.02) =   7.865%  kept
          HG12  ILE  103 - HB2   CYS   21  16.42 +/- 1.13   2.610% * 11.2053% (0.80   0.02   0.02) =   5.302%  kept
          QB    LYS+  66 - HB2   CYS   21  17.17 +/- 1.64   2.229% *  6.2738% (0.45   0.02   0.02) =   2.536%  kept
          HG2   ARG+  54 - HB2   CYS   21  19.98 +/- 2.97   2.003% *  6.8115% (0.49   0.02   0.02) =   2.474%  kept
          QB    LYS+ 106 - HB2   CYS   21  14.79 +/- 0.98   4.912% *  2.7693% (0.20   0.02   0.02) =   2.467%  kept
          HB3   PRO   52 - HB2   CYS   21  20.37 +/- 1.54   0.732% * 13.7167% (0.98   0.02   0.02) =   1.820%  kept
          HB    ILE  103 - HB2   CYS   21  18.85 +/- 1.12   1.119% *  7.3624% (0.53   0.02   0.02) =   1.494%  kept
          HG2   PRO   93 - HB2   CYS   21  16.81 +/- 1.27   2.401% *  3.1155% (0.22   0.02   0.02) =   1.356%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.98 +/- 1.49   1.141% *  6.2738% (0.45   0.02   0.02) =   1.298%  kept
          HB3   GLN   90 - HB2   CYS   21  18.35 +/- 2.29   1.699% *  3.8908% (0.28   0.02   0.02) =   1.198%  kept
          HG3   PRO   68 - HB2   CYS   21  20.07 +/- 1.38   0.800% *  7.9226% (0.57   0.02   0.02) =   1.149%  kept
          HG    LEU  123 - HB2   CYS   21  24.67 +/- 1.66   0.230% * 13.7167% (0.98   0.02   0.02) =   0.572%  kept
    Distance limit 3.63 A violated in 20 structures by 5.14 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.659, support = 1.06, residual support = 2.67:
          QD1   LEU   73 - HB2   CYS   21   5.41 +/- 0.68  29.161% * 70.7559% (0.80   1.29   3.85) =  64.962%  kept
          QD2   LEU   80 - HB2   CYS   21   4.83 +/- 1.54  56.323% * 18.2137% (0.41   0.65   0.47) =  32.298%  kept
          QD1   LEU   80 - HB2   CYS   21   5.86 +/- 0.84  12.388% *  6.9249% (0.22   0.45   0.47) =   2.701%  kept
          QG2   VAL   41 - HB2   CYS   21   8.77 +/- 0.83   1.327% *  0.5148% (0.38   0.02   0.02) =   0.022%
          QD1   LEU   63 - HB2   CYS   21  11.99 +/- 1.24   0.182% *  1.0984% (0.80   0.02   0.02) =   0.006%
          QD2   LEU   63 - HB2   CYS   21  12.66 +/- 1.43   0.149% *  1.2663% (0.92   0.02   0.02) =   0.006%
          QD2   LEU   98 - HB2   CYS   21  10.46 +/- 0.82   0.421% *  0.3054% (0.22   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB2   CYS   21  17.77 +/- 2.34   0.018% *  0.6150% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  16.24 +/- 1.08   0.031% *  0.3054% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 4 structures by 0.46 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.71, residual support = 28.7:
      O T HA    CYS   21 - HB2   CYS   21   2.86 +/- 0.27  99.990% * 99.6850% (0.92  10.0 10.00   2.71  28.65) = 100.000%  kept
          HA    CYSS  50 - HB2   CYS   21  15.75 +/- 1.54   0.006% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  18.14 +/- 1.86   0.003% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  19.38 +/- 0.97   0.001% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  21.39 +/- 1.24   0.001% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.72, support = 2.79, residual support = 5.21:
          HN    THR   23 - HB2   CYS   21   4.19 +/- 0.46  75.176% * 25.0957% (0.53   2.10   4.22) =  51.140%  kept
          HD2   HIS   22 - HB2   CYS   21   5.21 +/- 0.34  24.516% * 73.5189% (0.92   3.51   6.24) =  48.858%  kept
          QE    PHE   95 - HB2   CYS   21  11.83 +/- 1.33   0.205% *  0.2207% (0.49   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   CYS   21  16.78 +/- 2.40   0.027% *  0.4494% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   CYS   21  14.84 +/- 1.07   0.044% *  0.2386% (0.53   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   CYS   21  16.78 +/- 1.59   0.024% *  0.4067% (0.90   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  20.31 +/- 1.33   0.007% *  0.0700% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.39, residual support = 28.7:
      O   HN    CYS   21 - HB2   CYS   21   2.79 +/- 0.46  99.925% * 99.8294% (0.95  10.0   3.39  28.65) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.92 +/- 0.84   0.063% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  14.41 +/- 1.39   0.006% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  16.11 +/- 0.85   0.005% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.12 +/- 1.36   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.307, support = 0.0199, residual support = 0.0199:
          QB    LYS+  33 - HB3   CYS   21   9.55 +/- 0.64  58.547% *  4.7734% (0.23   0.02   0.02) =  51.121%  kept
          HB    VAL   41 - HB3   CYS   21  11.99 +/- 0.67  15.778% *  9.0526% (0.44   0.02   0.02) =  26.127%  kept
          QB    LYS+  81 - HB3   CYS   21  12.73 +/- 0.90  11.117% *  3.1155% (0.15   0.02   0.02) =   6.336%  kept
          HG12  ILE  103 - HB3   CYS   21  16.54 +/- 0.98   2.282% * 11.2053% (0.55   0.02   0.02) =   4.677%  kept
          QB    LYS+  66 - HB3   CYS   21  17.79 +/- 1.38   1.653% *  6.2738% (0.31   0.02   0.02) =   1.897%  kept
          QB    LYS+ 106 - HB3   CYS   21  15.26 +/- 0.81   3.619% *  2.7693% (0.14   0.02   0.02) =   1.833%  kept
          HG2   ARG+  54 - HB3   CYS   21  20.98 +/- 2.61   1.122% *  6.8115% (0.33   0.02   0.02) =   1.399%  kept
          HB    ILE  103 - HB3   CYS   21  18.99 +/- 1.01   0.980% *  7.3624% (0.36   0.02   0.02) =   1.320%  kept
          HB3   PRO   52 - HB3   CYS   21  21.32 +/- 1.06   0.488% * 13.7167% (0.67   0.02   0.02) =   1.223%  kept
          HB3   ASP- 105 - HB3   CYS   21  19.54 +/- 1.15   0.855% *  6.2738% (0.31   0.02   0.02) =   0.981%  kept
          HG3   PRO   68 - HB3   CYS   21  20.59 +/- 1.05   0.624% *  7.9226% (0.39   0.02   0.02) =   0.904%  kept
          HB3   GLN   90 - HB3   CYS   21  18.79 +/- 1.85   1.245% *  3.8908% (0.19   0.02   0.02) =   0.886%  kept
          HG2   PRO   93 - HB3   CYS   21  17.77 +/- 1.12   1.519% *  3.1155% (0.15   0.02   0.02) =   0.865%  kept
          HG    LEU  123 - HB3   CYS   21  25.45 +/- 1.40   0.172% * 13.7167% (0.67   0.02   0.02) =   0.431%
    Distance limit 3.73 A violated in 20 structures by 4.96 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 2.0, residual support = 2.73:
          QG2   THR   26 - HB3   CYS   21   2.44 +/- 0.61  98.475% * 95.4718% (0.60   2.00   2.73) =  99.982%  kept
          HB2   LYS+  74 - HB3   CYS   21   6.38 +/- 0.72   1.516% *  1.0982% (0.69   0.02  10.02) =   0.018%
          HG2   LYS+  65 - HB3   CYS   21  18.52 +/- 2.30   0.003% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   CYS   21  15.93 +/- 0.80   0.004% *  0.6231% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.76 +/- 1.30   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  23.51 +/- 1.56   0.000% *  0.7992% (0.50   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  21.44 +/- 1.83   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  21.79 +/- 0.92   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.446, support = 1.04, residual support = 2.59:
          QD1   LEU   73 - HB3   CYS   21   5.40 +/- 0.71  26.866% * 70.8126% (0.55   1.29   3.85) =  62.802%  kept
          QD2   LEU   80 - HB3   CYS   21   4.72 +/- 1.32  56.489% * 18.0986% (0.28   0.64   0.47) =  33.749%  kept
          QD1   LEU   80 - HB3   CYS   21   5.69 +/- 0.93  14.824% *  6.9801% (0.15   0.46   0.47) =   3.416%  kept
          QG2   VAL   41 - HB3   CYS   21   8.68 +/- 0.84   1.184% *  0.5153% (0.26   0.02   0.02) =   0.020%
          QD2   LEU   63 - HB3   CYS   21  13.29 +/- 1.18   0.116% *  1.2673% (0.63   0.02   0.02) =   0.005%
          QD1   LEU   63 - HB3   CYS   21  12.69 +/- 0.88   0.126% *  1.0993% (0.55   0.02   0.02) =   0.005%
          QD2   LEU   98 - HB3   CYS   21  10.48 +/- 0.77   0.354% *  0.3056% (0.15   0.02   0.02) =   0.004%
          QD1   LEU  104 - HB3   CYS   21  16.45 +/- 1.02   0.027% *  0.3056% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   CYS   21  18.57 +/- 1.98   0.012% *  0.6155% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 2 structures by 0.31 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.33, residual support = 28.7:
      O   HN    CYS   21 - HB3   CYS   21   3.47 +/- 0.37  99.793% * 99.8294% (0.65  10.0   3.33  28.65) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21  10.31 +/- 0.48   0.171% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  14.68 +/- 1.01   0.021% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.72 +/- 0.49   0.013% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  21.95 +/- 1.14   0.002% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.748, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   3.53 +/- 0.57  99.692% * 88.5468% (0.52   0.75   1.50) =  99.993%  kept
          HD1   TRP   87 - HB3   CYS   21  11.34 +/- 1.03   0.139% *  2.8589% (0.63   0.02   0.02) =   0.005%
          HN    THR   39 - HB3   CYS   21  15.77 +/- 0.49   0.023% *  2.9297% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   CYS   21  14.67 +/- 0.47   0.032% *  1.7534% (0.39   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   CYS   21  13.35 +/- 1.10   0.072% *  0.4191% (0.09   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   CYS   21  16.97 +/- 1.20   0.023% *  1.0564% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  17.39 +/- 1.13   0.010% *  1.2732% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  18.87 +/- 1.48   0.008% *  1.1624% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.442, support = 2.6, residual support = 4.82:
          HN    THR   23 - HB3   CYS   21   3.62 +/- 0.55  89.884% * 20.6598% (0.36   1.94   4.22) =  70.406%  kept
          HD2   HIS   22 - HB3   CYS   21   5.55 +/- 0.34   9.993% * 78.1042% (0.63   4.18   6.24) =  29.593%  kept
          QE    PHE   95 - HB3   CYS   21  12.72 +/- 0.92   0.064% *  0.1969% (0.33   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   CYS   21  14.29 +/- 0.84   0.034% *  0.2128% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  17.57 +/- 1.60   0.010% *  0.4010% (0.68   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.42 +/- 1.29   0.011% *  0.3628% (0.62   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  21.21 +/- 0.96   0.003% *  0.0624% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.49, residual support = 28.7:
      O T HA    CYS   21 - HB3   CYS   21   2.47 +/- 0.17  99.998% * 99.6850% (0.63  10.0 10.00   2.49  28.65) = 100.000%  kept
          HA    CYSS  50 - HB3   CYS   21  16.71 +/- 0.94   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   CYS   21  19.32 +/- 0.94   0.000% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  18.96 +/- 1.44   0.001% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  22.20 +/- 0.89   0.000% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 2.69, residual support = 33.4:
      O   HD2   HIS   22 - HB2   HIS   22   3.73 +/- 0.17  63.129% * 87.0640% (0.74  10.0   2.49  34.46) =  92.189%  kept
          HN    THR   23 - HB2   HIS   22   4.15 +/- 0.52  36.820% * 12.6478% (0.42   1.0   5.10  21.49) =   7.811%  kept
          HD1   TRP   49 - HB2   HIS   22  15.28 +/- 2.14   0.021% *  0.0935% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  15.11 +/- 1.66   0.023% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  21.47 +/- 1.66   0.002% *  0.0846% (0.72   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  20.42 +/- 1.04   0.002% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  21.65 +/- 2.01   0.002% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.927, support = 3.17, residual support = 34.1:
      O   HD2   HIS   22 - HB3   HIS   22   3.65 +/- 0.29  67.928% * 94.7621% (0.95  10.0   3.10  34.46) =  97.573%  kept
          HN    THR   23 - HB3   HIS   22   4.16 +/- 0.23  32.036% *  4.9976% (0.18   1.0   5.70  21.49) =   2.427%  kept
          HD1   TRP   49 - HB3   HIS   22  15.74 +/- 1.91   0.017% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  15.50 +/- 1.58   0.015% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  20.58 +/- 0.90   0.002% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.72 +/- 1.72   0.002% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.35, residual support = 21.5:
          QG2   THR   23 - HB3   HIS   22   3.48 +/- 0.33  99.760% * 96.0118% (0.34   3.35  21.49) =  99.996%  kept
          QG2   THR   77 - HB3   HIS   22  10.49 +/- 1.16   0.231% *  1.6674% (0.99   0.02   0.02) =   0.004%
          QB    ALA   88 - HB3   HIS   22  17.99 +/- 0.94   0.007% *  1.2216% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  25.66 +/- 0.51   0.001% *  0.6314% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  25.63 +/- 0.79   0.001% *  0.4677% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.21, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.56 +/- 0.63  97.568% * 98.4522% (0.38   3.21  12.67) =  99.961%  kept
          QD    PHE   95 - HB    THR   46   7.53 +/- 0.97   2.432% *  1.5478% (0.95   0.02   0.02) =   0.039%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.28 +/- 0.38  99.382% * 99.6646% (0.87  10.0   3.25  34.51) =  99.999%  kept
          HN    LYS+  74 - HB    THR   46   8.50 +/- 1.00   0.345% *  0.1126% (0.98   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB    THR   46   9.54 +/- 0.97   0.259% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    THR   46  15.99 +/- 1.57   0.014% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  31.45 +/- 2.32   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.49, support = 0.0199, residual support = 0.0199:
          QG2   THR   77 - HB2   HIS   22  10.04 +/- 1.63  37.537% * 12.9434% (0.64  1.00   0.02   0.02) =  62.122%  kept
          HB3   LEU   80 - HB2   HIS   22   9.31 +/- 1.25  56.058% *  4.0306% (0.20  1.00   0.02   0.02) =  28.890%  kept
          HB2   LEU   31 - HB2   HIS   22  15.62 +/- 0.83   3.948% *  6.0667% (0.30  1.00   0.02   0.02) =   3.062%  kept
        T HB2   LEU   63 - HB2   HIS   22  19.70 +/- 1.49   0.726% * 28.3087% (0.14 10.00   0.02   0.02) =   2.627%  kept
          QB    ALA   88 - HB2   HIS   22  17.58 +/- 1.18   1.262% * 16.1643% (0.80  1.00   0.02   0.02) =   2.608%  kept
          HG2   LYS+  38 - HB2   HIS   22  25.51 +/- 0.98   0.193% * 13.5016% (0.67  1.00   0.02   0.02) =   0.334%
          HG2   LYS+  99 - HB2   HIS   22  25.34 +/- 1.03   0.175% * 11.7377% (0.58  1.00   0.02   0.02) =   0.263%
          HG2   LYS+ 111 - HB2   HIS   22  26.98 +/- 1.92   0.100% *  7.2470% (0.36  1.00   0.02   0.02) =   0.093%
    Distance limit 3.89 A violated in 20 structures by 4.54 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 14.7:
      O   HN    CYS   21 - HA    ALA   20   2.21 +/- 0.01  99.997% * 99.8294% (0.95  10.0   2.96  14.70) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.41 +/- 0.47   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  17.32 +/- 0.64   0.000% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.46 +/- 0.96   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.83 +/- 0.63   0.000% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   8.56 +/- 0.71 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.16 A violated in 20 structures by 5.40 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.572, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   4.24 +/- 0.74  98.843% * 18.5628% (0.57   0.02   0.02) =  99.074%  kept
          HB3   PHE   45 - HA    HIS   22  10.01 +/- 1.09   1.052% * 13.7211% (0.42   0.02   0.02) =   0.779%  kept
          QG    GLN   32 - HA    HIS   22  15.31 +/- 1.15   0.071% * 27.4474% (0.85   0.02   0.02) =   0.106%
          HB    VAL  107 - HA    HIS   22  18.88 +/- 1.51   0.023% * 26.5475% (0.82   0.02   0.02) =   0.033%
          QE    LYS+ 112 - HA    HIS   22  21.89 +/- 2.41   0.011% * 13.7211% (0.42   0.02   0.02) =   0.008%
    Distance limit 3.27 A violated in 12 structures by 0.98 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.322, support = 0.0198, residual support = 0.0198:
        T HB2   LEU   73 - HA    HIS   22   8.47 +/- 1.26  37.282% * 28.4146% (0.26 10.00   0.02   0.02) =  80.092%  kept
          HB    VAL   83 - HA    HIS   22   9.33 +/- 0.84  21.505% *  8.1833% (0.76  1.00   0.02   0.02) =  13.305%  kept
          HD2   LYS+  74 - HA    HIS   22   8.44 +/- 1.22  37.630% *  1.7898% (0.17  1.00   0.02   0.02) =   5.092%  kept
          HB3   MET   92 - HA    HIS   22  14.00 +/- 1.42   1.965% *  4.2014% (0.39  1.00   0.02   0.02) =   0.624%  kept
          HG3   PRO   93 - HA    HIS   22  16.75 +/- 1.83   0.719% *  8.5362% (0.79  1.00   0.02   0.02) =   0.464%
          QD    LYS+  65 - HA    HIS   22  19.32 +/- 2.54   0.324% *  7.4210% (0.69  1.00   0.02   0.02) =   0.182%
          QD    LYS+ 102 - HA    HIS   22  22.77 +/- 1.64   0.106% *  9.8627% (0.91  1.00   0.02   0.02) =   0.079%
          QD    LYS+  38 - HA    HIS   22  23.30 +/- 0.92   0.092% *  9.4340% (0.87  1.00   0.02   0.02) =   0.066%
          QD    LYS+ 106 - HA    HIS   22  19.72 +/- 0.92   0.245% *  1.5768% (0.15  1.00   0.02   0.02) =   0.029%
          HB2   LYS+ 121 - HA    HIS   22  25.27 +/- 1.66   0.052% *  7.0200% (0.65  1.00   0.02   0.02) =   0.028%
          HB2   LEU  123 - HA    HIS   22  28.10 +/- 1.93   0.032% *  8.1833% (0.76  1.00   0.02   0.02) =   0.020%
          HD2   LYS+ 111 - HA    HIS   22  26.16 +/- 1.68   0.046% *  5.3768% (0.50  1.00   0.02   0.02) =   0.019%
    Distance limit 3.42 A violated in 20 structures by 3.68 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.387, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.49 +/- 0.19  98.208% * 67.5049% (0.39   0.02   0.02) =  99.129%  kept
          HN    LEU   40 - HA    HIS   22  20.59 +/- 1.07   1.792% * 32.4951% (0.19   0.02   0.02) =   0.871%  kept
    Distance limit 3.55 A violated in 20 structures by 6.91 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 5.2, residual support = 25.5:
      O   HN    VAL   24 - HA    THR   23   2.32 +/- 0.09 100.000% *100.0000% (0.64  10.0   5.20  25.50) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 72.92 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.39, residual support = 25.5:
          HN    VAL   24 - HB    THR   23   3.12 +/- 0.39 100.000% *100.0000% (0.49   5.39  25.50) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.72, residual support = 19.3:
          HN    THR   23 - QG2   THR   23   3.21 +/- 0.49  94.534% * 62.5023% (0.73   4.76  19.22) =  98.147%  kept
          HD2   HIS   22 - QG2   THR   23   5.81 +/- 0.50   3.124% * 35.6799% (0.76   2.58  21.49) =   1.851%  kept
          HN    LEU   67 - QG2   THR   39   8.94 +/- 0.96   0.360% *  0.0798% (0.22   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   23   8.71 +/- 0.70   0.294% *  0.0805% (0.22   0.02   1.99) =   0.000%
          HD1   TRP   49 - QB    ALA   91   9.36 +/- 1.56   0.492% *  0.0341% (0.09   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39   8.82 +/- 1.13   0.454% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91   8.64 +/- 0.54   0.320% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  15.22 +/- 1.34   0.013% *  0.3244% (0.90   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  14.69 +/- 0.93   0.014% *  0.2485% (0.69   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91   9.88 +/- 1.71   0.196% *  0.0106% (0.03   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  12.76 +/- 0.88   0.037% *  0.0553% (0.15   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  10.79 +/- 0.99   0.095% *  0.0179% (0.05   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  15.91 +/- 0.76   0.008% *  0.1234% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  20.02 +/- 1.40   0.002% *  0.3586% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  15.34 +/- 0.98   0.011% *  0.0585% (0.16   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  15.49 +/- 0.88   0.010% *  0.0616% (0.17   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  16.55 +/- 1.47   0.008% *  0.0291% (0.08   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  16.69 +/- 0.83   0.007% *  0.0276% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  20.60 +/- 0.98   0.002% *  0.1006% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  14.93 +/- 0.51   0.013% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  19.53 +/- 1.00   0.002% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.43 +/- 1.09   0.001% *  0.0722% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.08 +/- 0.80   0.002% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  21.58 +/- 1.01   0.001% *  0.0130% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.74, residual support = 10.7:
          HB3   ASP-  86 - HA    VAL   83   3.27 +/- 0.91  99.880% * 91.0566% (0.34   1.74  10.73) =  99.997%  kept
          HG3   MET   96 - HA    VAL   83  12.40 +/- 0.94   0.092% *  3.0734% (1.00   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HA    VAL   83  15.06 +/- 1.13   0.024% *  0.6842% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  22.51 +/- 0.88   0.002% *  2.8371% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  25.30 +/- 0.99   0.001% *  2.3488% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.7:
        T HB2   ASP-  86 - HA    VAL   83   3.17 +/- 0.48  99.880% * 99.6258% (0.98 10.00   2.25  10.73) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  10.83 +/- 0.87   0.086% *  0.0912% (0.90  1.00   0.02   0.17) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  13.02 +/- 0.37   0.026% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  18.50 +/- 1.51   0.004% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  18.52 +/- 1.22   0.004% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  25.42 +/- 1.89   0.000% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 87.3:
      O   HN    VAL   83 - HA    VAL   83   2.76 +/- 0.02  99.997% * 99.7575% (0.57  10.0   4.70  87.34) = 100.000%  kept
          HN    CYSS  50 - HA    VAL   83  17.94 +/- 0.68   0.001% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  17.60 +/- 0.63   0.002% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.7:
          HN    ASP-  86 - HA    VAL   83   3.02 +/- 0.12  99.952% * 97.0739% (0.95   2.25  10.73) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  12.92 +/- 0.89   0.018% *  0.8942% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  12.14 +/- 0.82   0.026% *  0.5165% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  18.14 +/- 0.95   0.002% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  23.50 +/- 3.65   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  26.64 +/- 1.85   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.714, support = 0.02, residual support = 9.24:
          HD1   TRP   87 - HA    VAL   83   5.15 +/- 0.62  88.569% * 16.2579% (0.73   0.02   9.48) =  93.349%  kept
          HE3   TRP   87 - HA    VAL   83   7.72 +/- 0.30   8.945% *  6.2250% (0.28   0.02   9.48) =   3.610%  kept
          HN    TRP   27 - HA    VAL   83  10.06 +/- 0.70   1.732% * 21.1793% (0.95   0.02   1.97) =   2.378%  kept
          HN    ALA   91 - HA    VAL   83  11.94 +/- 0.47   0.642% * 14.4837% (0.65   0.02   0.02) =   0.603%  kept
          HN    THR   39 - HA    VAL   83  21.55 +/- 0.89   0.019% * 17.1105% (0.76   0.02   0.02) =   0.021%
          HN    LYS+ 102 - HA    VAL   83  18.55 +/- 1.40   0.052% *  4.4308% (0.20   0.02   0.02) =   0.015%
          HN    GLU-  36 - HA    VAL   83  20.18 +/- 0.91   0.029% *  7.6371% (0.34   0.02   0.02) =   0.014%
          HN    ALA   61 - HA    VAL   83  23.06 +/- 1.19   0.012% * 12.6757% (0.57   0.02   0.02) =   0.010%
    Distance limit 3.71 A violated in 15 structures by 1.33 A, eliminated.
    Peak unassigned.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.4, support = 2.22, residual support = 10.3:
          QD2   LEU   80 - HA    VAL   24   2.35 +/- 0.54  82.810% * 71.1279% (0.41   2.27  10.33) =  93.896%  kept
          QD1   LEU   80 - HA    VAL   24   3.49 +/- 0.54  16.548% * 23.0923% (0.22   1.36  10.33) =   6.092%  kept
          QD1   LEU   73 - HA    VAL   24   7.45 +/- 0.99   0.592% *  1.2200% (0.80   0.02   0.02) =   0.012%
          QG2   VAL   41 - HA    VAL   24   9.63 +/- 0.73   0.030% *  0.5718% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    VAL   24  10.46 +/- 0.75   0.017% *  0.3392% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   24  15.15 +/- 0.88   0.002% *  1.2200% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  15.97 +/- 1.30   0.001% *  1.4065% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  17.58 +/- 1.05   0.001% *  0.3392% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  20.54 +/- 1.75   0.000% *  0.6831% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.1:
      O T HB    VAL   24 - HA    VAL   24   2.59 +/- 0.30  99.967% * 98.9275% (1.00  10.0 10.00   3.97  65.10) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.42 +/- 0.55   0.032% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  24.52 +/- 1.15   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  20.37 +/- 1.06   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.47 +/- 1.31   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  25.13 +/- 1.06   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 25.8:
        T HB3   TRP   27 - HA    VAL   24   3.45 +/- 0.17  99.977% * 99.7179% (1.00 10.00   3.00  25.79) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  17.73 +/- 0.72   0.006% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  18.12 +/- 1.29   0.006% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  18.18 +/- 1.15   0.005% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  19.02 +/- 0.68   0.004% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  20.45 +/- 0.75   0.002% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.1:
      O   HN    VAL   24 - HA    VAL   24   2.80 +/- 0.03 100.000% *100.0000% (0.97  10.0   4.34  65.10) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.894, support = 5.64, residual support = 32.9:
      O   HN    GLU-  25 - HA    VAL   24   3.60 +/- 0.02  66.792% * 86.3481% (0.92  10.0   5.65  34.59) =  92.786%  kept
          HN    ASN   28 - HA    VAL   24   4.07 +/- 0.20  33.060% * 13.5635% (0.53   1.0   5.51  11.89) =   7.214%  kept
          HN    ASP-  44 - HA    VAL   24  10.11 +/- 0.73   0.148% *  0.0885% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.13, residual support = 25.8:
          HN    TRP   27 - HA    VAL   24   3.20 +/- 0.09  99.723% * 94.8176% (0.45   3.13  25.79) =  99.996%  kept
          HD1   TRP   87 - HA    VAL   24   8.81 +/- 0.73   0.257% *  1.3390% (0.99   0.02   0.02) =   0.004%
          HN    GLU-  36 - HA    VAL   24  16.25 +/- 0.35   0.006% *  1.1718% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  18.12 +/- 0.54   0.003% *  1.3242% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  18.92 +/- 1.46   0.003% *  0.9280% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  15.90 +/- 0.79   0.007% *  0.2366% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  20.70 +/- 1.15   0.001% *  0.1828% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.24, residual support = 65.1:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  99.990% * 98.9402% (0.98  10.0 10.00   3.24  65.10) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.32 +/- 0.38   0.003% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.27 +/- 0.37   0.004% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.79 +/- 2.46   0.001% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  23.08 +/- 0.86   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.31 +/- 1.24   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.67 +/- 1.33   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  18.27 +/- 1.06   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.71 +/- 2.61   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.42 +/- 1.38   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  24.85 +/- 2.10   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  29.39 +/- 2.02   0.000% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.21, residual support = 65.1:
      O   QG2   VAL   24 - HB    VAL   24   2.13 +/- 0.01  99.995% * 99.6470% (1.00  10.0   3.21  65.10) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  11.74 +/- 0.93   0.004% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.31 +/- 1.24   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  21.67 +/- 1.65   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  23.82 +/- 2.95   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.67 +/- 1.33   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.92 +/- 0.99   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  28.87 +/- 2.03   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.821, support = 1.82, residual support = 7.46:
          QD2   LEU   80 - HB    VAL   24   3.05 +/- 0.82  45.506% * 70.5411% (0.80   2.27  10.33) =  70.102%  kept
          QG1   VAL   83 - HB    VAL   24   3.01 +/- 1.00  54.249% * 25.2352% (0.87   0.75   0.74) =  29.896%  kept
          QD1   LEU  104 - HB2   PRO   68  11.42 +/- 1.74   0.060% *  0.4429% (0.57   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   24   9.37 +/- 1.03   0.077% *  0.3189% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   PRO   68  10.99 +/- 0.73   0.050% *  0.1887% (0.24   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB    VAL   24  10.06 +/- 1.28   0.033% *  0.1934% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.15 +/- 1.13   0.013% *  0.1887% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.44 +/- 1.30   0.006% *  0.3507% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  19.06 +/- 1.20   0.001% *  0.7487% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  16.79 +/- 1.14   0.002% *  0.3189% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  21.90 +/- 1.82   0.001% *  0.5929% (0.76   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  20.62 +/- 1.24   0.001% *  0.3675% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  22.77 +/- 1.38   0.000% *  0.3981% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  20.43 +/- 0.88   0.001% *  0.1144% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 3.98, residual support = 64.8:
      O T HA    VAL   24 - HB    VAL   24   2.59 +/- 0.30  91.089% * 89.0301% (0.90  10.0 10.00   3.97  65.10) =  98.883%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.09   8.905% * 10.2842% (0.10  10.0  1.00   5.47  35.93) =   1.117%  kept
          HA    LYS+  38 - HB2   PRO   68  14.50 +/- 1.20   0.005% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.52 +/- 1.15   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.88 +/- 0.49   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  24.67 +/- 1.67   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 65.1:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.01  99.989% * 98.6521% (0.92  10.0 10.00   3.24  65.10) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24  10.05 +/- 0.70   0.010% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  23.08 +/- 0.86   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  19.08 +/- 1.15   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  18.06 +/- 1.43   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.25 +/- 1.10   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  23.04 +/- 1.16   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  25.37 +/- 2.59   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.336, support = 6.0, residual support = 32.9:
      O   HN    ASN   69 - HB2   PRO   68   3.43 +/- 0.47  52.838% * 44.4752% (0.20  10.0   6.15  32.13) =  59.768%  kept
          HN    GLU-  25 - HB    VAL   24   3.54 +/- 0.71  45.234% * 34.0947% (0.53   1.0   5.88  34.59) =  39.225%  kept
          HN    ASN   28 - HB    VAL   24   5.85 +/- 0.24   1.889% * 20.9674% (0.92   1.0   2.06  11.89) =   1.007%  kept
          HN    ASP-  44 - HB    VAL   24  12.13 +/- 1.20   0.034% *  0.1248% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.84 +/- 0.79   0.004% *  0.0738% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.55 +/- 1.13   0.001% *  0.1204% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.27 +/- 1.21   0.000% *  0.0752% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.50 +/- 1.19   0.000% *  0.0686% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.1:
      O   HN    VAL   24 - HB    VAL   24   2.53 +/- 0.20 100.000% * 99.9409% (0.38  10.0   4.68  65.10) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  26.61 +/- 1.16   0.000% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 65.1:
          HN    VAL   24 - QG1   VAL   24   2.02 +/- 0.31 100.000% *100.0000% (0.73   4.09  65.10) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.05, residual support = 127.2:
      O   HN    GLU-  25 - HB2   GLU-  25   2.94 +/- 0.36  96.693% * 99.5455% (0.41  10.0   6.05 127.23) =  99.992%  kept
          HN    ASN   28 - HB2   GLU-  25   5.39 +/- 0.16   3.300% *  0.2373% (0.98   1.0   0.02   2.88) =   0.008%
          HN    ASP-  44 - HB2   GLU-  25  14.75 +/- 0.58   0.007% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  23.88 +/- 0.78   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.87, residual support = 127.2:
      O   HN    GLU-  25 - HB3   GLU-  25   2.48 +/- 0.69  97.757% * 99.5455% (0.41  10.0   5.87 127.23) =  99.995%  kept
          HN    ASN   28 - HB3   GLU-  25   5.63 +/- 0.15   2.237% *  0.2373% (0.98   1.0   0.02   2.88) =   0.005%
          HN    ASP-  44 - HB3   GLU-  25  15.04 +/- 0.49   0.005% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.56 +/- 0.92   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.25, residual support = 29.1:
          HN    THR   26 - HB3   GLU-  25   3.23 +/- 0.15  99.997% * 98.7444% (0.34   5.25  29.10) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  18.74 +/- 0.80   0.003% *  0.8420% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  31.41 +/- 1.11   0.000% *  0.4135% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.96, residual support = 2.96:
          HN    SER   85 - HA    SER   82   3.38 +/- 0.12  98.879% * 92.1173% (0.26   2.96   2.96) =  99.987%  kept
          HN    GLN   32 - HA    GLU-  25   8.66 +/- 0.33   0.371% *  2.4019% (1.00   0.02   0.02) =   0.010%
          HN    LEU   80 - HA    SER   82   8.04 +/- 0.20   0.571% *  0.2401% (0.10   0.02   0.02) =   0.002%
          HN    LEU   80 - HA    GLU-  25  10.71 +/- 0.68   0.108% *  0.7413% (0.31   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  13.81 +/- 0.64   0.023% *  1.9233% (0.80   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  25  12.54 +/- 0.33   0.040% *  0.9874% (0.41   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   82  19.02 +/- 1.04   0.003% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  21.86 +/- 0.85   0.001% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYSS  53 - HA    SER   82  19.15 +/- 0.97   0.003% *  0.1201% (0.05   0.02   0.02) =   0.000%
          HN    CYSS  53 - HA    GLU-  25  24.40 +/- 0.65   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.449, support = 5.68, residual support = 118.9:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.02  83.593% * 72.8908% (0.41  10.0   5.87 127.23) =  93.275%  kept
          HN    ASN   28 - HA    GLU-  25   3.57 +/- 0.08  16.381% * 26.8188% (0.98   1.0   3.09   2.88) =   6.725%  kept
          HN    ASP-  44 - HA    GLU-  25  13.78 +/- 0.54   0.005% *  0.0795% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  13.66 +/- 0.97   0.006% *  0.0563% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    SER   82  12.04 +/- 0.96   0.013% *  0.0236% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.43 +/- 0.38   0.003% *  0.0257% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.25 +/- 0.80   0.000% *  0.0795% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  29.26 +/- 0.88   0.000% *  0.0257% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.317, support = 4.14, residual support = 8.55:
          HN    ALA   84 - HA    SER   82   4.04 +/- 0.08  62.216% * 54.7174% (0.20   5.35  10.93) =  70.467%  kept
          HD21  ASN   28 - HA    GLU-  25   4.44 +/- 0.17  35.594% * 40.0646% (0.61   1.27   2.88) =  29.519%  kept
          HZ2   TRP   87 - HA    GLU-  25   8.70 +/- 0.93   0.811% *  0.4282% (0.41   0.02   0.02) =   0.007%
          HE21  GLN   32 - HA    GLU-  25   9.84 +/- 1.99   0.821% *  0.2319% (0.22   0.02   0.02) =   0.004%
          HN    ALA   84 - HA    GLU-  25  11.95 +/- 0.54   0.096% *  0.6318% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    SER   82   9.94 +/- 0.41   0.288% *  0.1387% (0.13   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    SER   82  11.34 +/- 1.34   0.164% *  0.2047% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  24.44 +/- 0.77   0.001% *  1.0324% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  26.61 +/- 0.87   0.001% *  0.9853% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  22.84 +/- 1.18   0.002% *  0.3192% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  21.91 +/- 1.24   0.003% *  0.2047% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  27.49 +/- 1.08   0.001% *  0.6318% (0.61   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  25.67 +/- 0.56   0.001% *  0.3344% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  21.46 +/- 2.24   0.003% *  0.0751% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 2.88:
          HB2   ASN   28 - HA    GLU-  25   3.50 +/- 0.20  97.792% * 86.9739% (0.99   0.75   2.88) =  99.983%  kept
          HB2   ASP-  86 - HA    SER   82   7.06 +/- 0.52   1.782% *  0.5504% (0.24   0.02   0.02) =   0.012%
          QE    LYS+  33 - HA    GLU-  25  12.66 +/- 1.91   0.077% *  2.3348% (1.00   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HA    GLU-  25  11.41 +/- 0.71   0.088% *  1.6992% (0.73   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    SER   82  11.52 +/- 0.41   0.082% *  0.4598% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  13.95 +/- 0.82   0.027% *  0.8782% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  13.11 +/- 0.67   0.037% *  0.4631% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  16.12 +/- 0.66   0.011% *  1.4193% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  14.95 +/- 1.09   0.019% *  0.7513% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.60 +/- 0.36   0.079% *  0.1500% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  24.81 +/- 2.22   0.001% *  2.1601% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  22.25 +/- 1.55   0.002% *  0.7563% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  23.01 +/- 0.91   0.001% *  0.3167% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  23.22 +/- 1.24   0.001% *  0.2845% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  27.38 +/- 1.77   0.000% *  0.6997% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  30.17 +/- 0.83   0.000% *  0.1026% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.81, residual support = 10.9:
          QB    ALA   84 - HA    SER   82   4.29 +/- 0.11  89.872% * 79.1460% (0.32   2.81  10.93) =  99.940%  kept
          HB3   LEU   80 - HA    SER   82   6.74 +/- 0.55   7.052% *  0.2762% (0.16   0.02   0.02) =   0.027%
          HB2   LEU   31 - HA    GLU-  25   8.78 +/- 0.29   1.254% *  0.5976% (0.34   0.02   0.02) =   0.011%
          HB3   LEU   80 - HA    GLU-  25   9.71 +/- 0.83   0.835% *  0.8527% (0.49   0.02   0.02) =   0.010%
          QB    ALA   84 - HA    GLU-  25  11.79 +/- 0.45   0.215% *  1.7364% (0.99   0.02   0.02) =   0.005%
          HB3   LEU   73 - HA    GLU-  25  10.97 +/- 0.68   0.348% *  0.7202% (0.41   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HA    GLU-  25  13.47 +/- 1.78   0.149% *  0.4871% (0.28   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    GLU-  25  16.08 +/- 0.97   0.035% *  1.6572% (0.95   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    GLU-  25  16.77 +/- 0.83   0.027% *  1.2721% (0.73   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  25  16.54 +/- 0.64   0.028% *  0.5976% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  17.15 +/- 1.43   0.024% *  0.5662% (0.32   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  21.36 +/- 1.26   0.006% *  1.7480% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  16.99 +/- 0.48   0.024% *  0.4121% (0.24   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  18.07 +/- 1.19   0.017% *  0.5368% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  16.04 +/- 0.75   0.035% *  0.2333% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  21.86 +/- 0.81   0.005% *  1.1333% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  17.22 +/- 0.99   0.023% *  0.1936% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  21.97 +/- 1.80   0.006% *  0.7854% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  23.04 +/- 1.07   0.004% *  1.0626% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  19.43 +/- 0.83   0.011% *  0.3671% (0.21   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  28.36 +/- 1.51   0.001% *  1.5196% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  20.76 +/- 0.50   0.007% *  0.1936% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  26.52 +/- 1.83   0.002% *  0.5976% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  24.22 +/- 0.67   0.003% *  0.3442% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  23.83 +/- 1.41   0.003% *  0.2544% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  23.15 +/- 1.39   0.004% *  0.1578% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  23.78 +/- 1.51   0.003% *  0.1578% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  32.00 +/- 2.01   0.001% *  0.9217% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  27.40 +/- 1.78   0.001% *  0.2986% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  29.62 +/- 1.49   0.001% *  0.4871% (0.28   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  30.06 +/- 1.58   0.001% *  0.4923% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  29.46 +/- 1.72   0.001% *  0.1936% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 3 structures by 0.79 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.508, support = 0.0199, residual support = 0.0199:
          QG2   VAL  108 - HA    SER   82  13.62 +/- 1.06  67.101% *  7.4304% (0.30   0.02   0.02) =  53.220%  kept
          QG2   VAL  108 - HA    GLU-  25  18.48 +/- 1.18  10.745% * 22.9376% (0.92   0.02   0.02) =  26.309%  kept
          HB2   LEU  104 - HA    GLU-  25  22.10 +/- 0.69   3.891% * 19.8967% (0.80   0.02   0.02) =   8.263%  kept
          QD1   ILE  119 - HA    GLU-  25  22.59 +/- 1.25   3.407% * 12.0948% (0.49   0.02   0.02) =   4.399%  kept
          HG    LEU   63 - HA    GLU-  25  22.87 +/- 1.41   3.456% *  5.5320% (0.22   0.02   0.02) =   2.041%  kept
          HB2   LEU  104 - HA    SER   82  23.15 +/- 0.54   2.907% *  6.4453% (0.26   0.02   0.02) =   2.000%  kept
          QD1   ILE  119 - HA    SER   82  21.77 +/- 1.26   4.318% *  3.9180% (0.16   0.02   0.02) =   1.806%  kept
          HG3   LYS+ 112 - HA    GLU-  25  31.91 +/- 1.86   0.508% * 15.0711% (0.61   0.02   0.02) =   0.818%  kept
          HG3   LYS+ 112 - HA    SER   82  27.36 +/- 1.87   1.346% *  4.8821% (0.20   0.02   0.02) =   0.701%  kept
          HG    LEU   63 - HA    SER   82  24.18 +/- 1.07   2.320% *  1.7920% (0.07   0.02   0.02) =   0.444%
    Distance limit 3.87 A violated in 20 structures by 8.89 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 1.9, residual support = 9.8:
          HB2   GLU-  29 - HA    THR   26   2.35 +/- 0.48  93.136% * 13.7216% (0.22   0.96   1.48) =  69.899%  kept
          HB2   GLU-  25 - HA    THR   26   4.04 +/- 0.30   6.849% * 80.3572% (0.31   4.07  29.10) =  30.100%  kept
          HB3   ASP-  76 - HA    THR   26  12.75 +/- 0.94   0.006% *  1.1462% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  13.35 +/- 1.20   0.006% *  0.5254% (0.41   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  15.24 +/- 0.42   0.002% *  1.1462% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  19.37 +/- 1.20   0.001% *  1.2090% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  17.60 +/- 0.76   0.001% *  0.6221% (0.49   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  19.22 +/- 1.16   0.001% *  0.3945% (0.31   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.80 +/- 0.96   0.000% *  0.8779% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.62, residual support = 35.1:
      O   HN    THR   26 - HA    THR   26   2.83 +/- 0.01  99.994% * 99.6670% (0.34  10.0   4.62  35.06) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  14.47 +/- 0.64   0.006% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.39 +/- 1.03   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.465, support = 1.26, residual support = 3.19:
          HN    GLN   30 - HA    THR   26   4.18 +/- 0.27  18.120% * 78.9790% (0.69   1.54   4.75) =  52.123%  kept
          HN    GLU-  29 - HA    THR   26   3.17 +/- 0.18  81.864% * 16.0573% (0.22   0.96   1.48) =  47.877%  kept
          HN    GLU-  14 - HA    THR   26  15.67 +/- 1.86   0.007% *  1.4660% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  15.77 +/- 0.49   0.006% *  0.9071% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.90 +/- 0.50   0.002% *  1.2492% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  23.14 +/- 3.41   0.001% *  1.3413% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.38, support = 2.24, residual support = 14.1:
          HN    THR   23 - HB    THR   26   3.55 +/- 0.24  98.150% * 68.5449% (0.38   2.25  14.20) =  99.279%  kept
          HD2   HIS   22 - HB    THR   26   7.01 +/- 0.58   1.813% * 26.9365% (0.99   0.33   0.02) =   0.720%  kept
          HD21  ASN   35 - HB    THR   26  15.10 +/- 0.95   0.019% *  1.1151% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  16.54 +/- 1.08   0.012% *  0.5538% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  20.26 +/- 1.55   0.003% *  1.6091% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  20.86 +/- 1.81   0.003% *  1.2407% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.41, residual support = 22.0:
          HN    TRP   27 - HB    THR   26   3.40 +/- 0.13  99.945% * 98.0655% (0.84   4.41  22.05) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  14.09 +/- 0.66   0.020% *  0.4619% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.15 +/- 0.54   0.013% *  0.2592% (0.49   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  17.44 +/- 0.85   0.006% *  0.4776% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  15.85 +/- 0.98   0.010% *  0.0933% (0.18   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  20.63 +/- 0.79   0.002% *  0.2592% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  20.80 +/- 1.63   0.002% *  0.2189% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  21.41 +/- 1.34   0.002% *  0.1644% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 35.1:
      O   HN    THR   26 - HB    THR   26   2.17 +/- 0.45  99.997% * 99.9615% (0.80  10.0   4.16  35.06) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.55 +/- 1.04   0.003% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.185, support = 0.746, residual support = 2.69:
          HA    CYS   21 - QG2   THR   26   2.14 +/- 0.67  99.492% * 23.7579% (0.18   0.75   2.73) =  98.518%  kept
          HA    ALA   20 - QG2   THR   26   5.52 +/- 0.67   0.480% * 74.0621% (0.87   0.47   0.02) =   1.481%  kept
          HA    LEU   71 - QG2   THR   26   9.97 +/- 0.80   0.027% *  0.5582% (0.15   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QG2   THR   26  17.59 +/- 1.04   0.001% *  1.6219% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.87, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.23 +/- 1.12  66.004% * 18.7520% (0.92   0.02   0.02) =  76.013%  kept
          HB2   PRO   93 - QG2   THR   26  15.38 +/- 1.17  11.581% * 12.3210% (0.61   0.02   0.02) =   8.763%  kept
          HG2   MET   11 - QG2   THR   26  18.85 +/- 2.60   5.047% * 19.2160% (0.95   0.02   0.02) =   5.957%  kept
          HG3   PRO   52 - QG2   THR   26  18.86 +/- 1.39   3.476% * 17.6208% (0.87   0.02   0.02) =   3.761%  kept
          HG2   PRO   58 - QG2   THR   26  20.46 +/- 0.90   1.942% * 17.6208% (0.87   0.02   0.02) =   2.102%  kept
          HB    VAL  108 - QG2   THR   26  18.24 +/- 1.40   4.549% *  5.0653% (0.25   0.02   0.02) =   1.415%  kept
          HB2   ARG+  54 - QG2   THR   26  20.27 +/- 2.23   2.928% *  6.2698% (0.31   0.02   0.02) =   1.127%  kept
          HB2   PRO   68 - QG2   THR   26  17.86 +/- 1.17   4.472% *  3.1343% (0.15   0.02   0.02) =   0.861%  kept
    Distance limit 3.38 A violated in 20 structures by 7.04 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 4.75:
        T HG2   GLN   30 - QG2   THR   26   3.12 +/- 0.41  99.347% * 99.5048% (0.99 10.00   0.75   4.75) =  99.998%  kept
          HB3   ASN   28 - QG2   THR   26   7.43 +/- 0.26   0.649% *  0.2584% (0.97  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 121 - QG2   THR   26  20.32 +/- 1.53   0.002% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  19.34 +/- 1.84   0.002% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.826, support = 3.35, residual support = 11.9:
          QD2   LEU   80 - HB3   TRP   27   3.36 +/- 0.93  77.681% * 60.8953% (0.80   3.58  11.97) =  87.324%  kept
          QD1   LEU   73 - HB3   TRP   27   4.83 +/- 0.96  18.172% * 37.7691% (1.00   1.78  11.80) =  12.670%  kept
          QG1   VAL   83 - HB3   TRP   27   5.87 +/- 1.14   4.088% *  0.0744% (0.18   0.02   1.97) =   0.006%
          QD1   LEU   63 - HB3   TRP   27  12.60 +/- 0.91   0.028% *  0.4250% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  13.29 +/- 1.35   0.021% *  0.2406% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  15.48 +/- 1.04   0.007% *  0.2406% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  18.34 +/- 1.75   0.003% *  0.3550% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 25.8:
        T HA    VAL   24 - HB3   TRP   27   3.45 +/- 0.17  99.589% * 98.5200% (0.76 10.00   3.00  25.79) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  16.88 +/- 0.47   0.007% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27   9.01 +/- 0.91   0.395% *  0.0174% (0.14  1.00   0.02   1.97) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  16.64 +/- 0.83   0.008% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 25.8:
          HA    VAL   24 - HB2   TRP   27   2.02 +/- 0.08  99.999% * 99.1878% (0.97   3.00  25.79) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  17.37 +/- 0.44   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  20.46 +/- 1.46   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  18.80 +/- 1.46   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2422 (0.59, 3.56, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.968, support = 3.43, residual support = 11.9:
          QD2   LEU   80 - HB2   TRP   27   3.09 +/- 0.78  83.105% * 58.2322% (0.98   3.54  11.97) =  92.653%  kept
          QD1   LEU   73 - HB2   TRP   27   5.89 +/- 0.93  10.108% * 32.3261% (0.90   2.15  11.80) =   6.256%  kept
          QG1   VAL   83 - HB2   TRP   27   5.04 +/- 0.99   6.760% *  8.4253% (0.38   1.34   1.97) =   1.090%  kept
          QD1   LEU   63 - HB2   TRP   27  13.98 +/- 0.88   0.011% *  0.3007% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  16.38 +/- 1.03   0.005% *  0.2800% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  14.65 +/- 1.33   0.009% *  0.1035% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  19.67 +/- 1.73   0.002% *  0.3323% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.07, residual support = 17.0:
          QD1   LEU   31 - HA    ASN   28   2.92 +/- 0.79 100.000% *100.0000% (0.76   3.07  17.03) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 4.83, residual support = 91.5:
      O T HA    GLU-  29 - HG3   GLU-  29   3.42 +/- 0.16  99.605% * 97.0747% (0.22  10.0 10.00   4.83  91.51) =  99.995%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.31 +/- 0.84   0.335% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          HB2   SER   37 - HG3   GLU-  29  15.20 +/- 1.40   0.021% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  17.48 +/- 1.03   0.007% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  15.58 +/- 1.56   0.019% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  19.65 +/- 2.30   0.005% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  17.01 +/- 1.61   0.008% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.48 +/- 1.73   0.000% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 98.2:
      O   HD1   TRP   27 - HB2   TRP   27   2.68 +/- 0.22  99.635% * 99.7286% (0.98  10.0   3.66  98.18) = 100.000%  kept
          HE21  GLN   30 - HB2   TRP   27   8.36 +/- 1.89   0.363% *  0.0939% (0.92   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HB2   TRP   27  17.82 +/- 1.80   0.002% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  22.05 +/- 1.38   0.000% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.22, residual support = 98.2:
      O   HN    TRP   27 - HB2   TRP   27   2.05 +/- 0.05  99.977% * 99.5184% (0.76  10.0   5.22  98.18) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27   9.08 +/- 0.60   0.014% *  0.1202% (0.92   1.0   0.02   6.06) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  10.79 +/- 0.97   0.006% *  0.0176% (0.14   1.0   0.02   6.06) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.65 +/- 0.35   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  16.32 +/- 0.52   0.000% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.22 +/- 0.72   0.000% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.73 +/- 1.42   0.000% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  19.42 +/- 1.04   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.919, support = 5.28, residual support = 46.6:
          HN    ASN   28 - HB2   TRP   27   3.07 +/- 0.21  91.848% * 93.6367% (0.92   5.30  46.83) =  99.450%  kept
          HN    GLU-  25 - HB2   TRP   27   4.66 +/- 0.09   7.941% *  5.9895% (0.15   2.03   0.39) =   0.550%  kept
          HN    ASP-  44 - HB2   TRP   27   8.80 +/- 0.68   0.210% *  0.0671% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  19.98 +/- 0.99   0.001% *  0.3067% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.767, support = 4.34, residual support = 97.0:
      O   HE3   TRP   27 - HB3   TRP   27   2.89 +/- 0.18  92.341% * 85.9407% (0.76  10.0   4.36  98.18) =  98.756%  kept
          HN    THR   23 - HB3   TRP   27   4.68 +/- 0.45   7.290% * 13.7133% (0.98   1.0   2.49   1.99) =   1.244%  kept
          HD2   HIS   22 - HB3   TRP   27   7.57 +/- 0.56   0.349% *  0.0250% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  12.47 +/- 0.78   0.016% *  0.1115% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  18.21 +/- 1.37   0.002% *  0.0772% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  17.35 +/- 1.58   0.002% *  0.0384% (0.34   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.04 +/- 0.66   0.001% *  0.0939% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 98.2:
      O   HD1   TRP   27 - HB3   TRP   27   3.64 +/- 0.10  91.747% * 99.7286% (0.98  10.0   4.09  98.18) =  99.992%  kept
          HE21  GLN   30 - HB3   TRP   27   7.44 +/- 2.09   8.236% *  0.0939% (0.92   1.0   0.02   0.02) =   0.008%
          QD    PHE   59 - HB3   TRP   27  16.33 +/- 1.80   0.014% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  21.12 +/- 1.41   0.003% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.5, residual support = 98.2:
      O   HN    TRP   27 - HB3   TRP   27   3.03 +/- 0.11  99.726% * 99.5184% (0.76  10.0   5.50  98.18) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27   8.79 +/- 0.55   0.185% *  0.1202% (0.92   1.0   0.02   6.06) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  10.64 +/- 0.87   0.063% *  0.0176% (0.14   1.0   0.02   6.06) =   0.000%
          HN    THR   39 - HB3   TRP   27  15.63 +/- 0.55   0.006% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  14.49 +/- 0.34   0.009% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  15.54 +/- 0.69   0.006% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  17.13 +/- 1.38   0.004% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  17.73 +/- 1.04   0.003% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.77, residual support = 46.8:
          HN    ASN   28 - HB3   TRP   27   4.21 +/- 0.10  99.985% * 99.4716% (0.65   5.77  46.83) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  18.60 +/- 1.07   0.015% *  0.5284% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.72, residual support = 17.0:
          HN    LEU   31 - HA    ASN   28   3.23 +/- 0.12  99.937% * 95.3068% (0.22   3.72  17.03) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.79 +/- 0.23   0.027% *  2.2551% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.24 +/- 0.28   0.035% *  0.4029% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.57 +/- 1.16   0.001% *  1.3954% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  22.26 +/- 0.67   0.001% *  0.6397% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2433 (8.34, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 4.46, residual support = 8.24:
          HN    GLN   30 - HA    ASN   28   3.68 +/- 0.09  99.406% * 93.4474% (0.18   4.46   8.24) =  99.996%  kept
          HN    ASN   35 - HA    ASN   28   8.82 +/- 0.20   0.540% *  0.5326% (0.22   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    ASN   28  13.69 +/- 0.68   0.039% *  2.2081% (0.92   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    ASN   28  17.90 +/- 1.83   0.009% *  1.7370% (0.73   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASN   28  20.10 +/- 4.45   0.006% *  2.0749% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.24, residual support = 94.2:
      O   HN    ASN   28 - HB2   ASN   28   2.71 +/- 0.10  99.980% * 99.7686% (0.65  10.0   6.24  94.16) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  11.83 +/- 0.94   0.017% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  16.18 +/- 0.67   0.002% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  20.90 +/- 0.71   0.001% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.59, residual support = 94.2:
      O   HD22  ASN   28 - HB3   ASN   28   3.14 +/- 0.28  99.994% * 99.9746% (0.98  10.0   3.59  94.16) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  16.39 +/- 0.44   0.006% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.42, residual support = 94.2:
      O   HD21  ASN   28 - HB3   ASN   28   3.81 +/- 0.23  95.604% * 99.7595% (0.87  10.0   3.42  94.16) =  99.995%  kept
          HZ2   TRP   87 - HB3   ASN   28   6.97 +/- 0.98   4.379% *  0.1127% (0.98   1.0   0.02   0.02) =   0.005%
          QE    PHE   60 - HB3   ASN   28  16.91 +/- 1.39   0.014% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  22.99 +/- 0.68   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.42 +/- 1.12   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.511, support = 5.37, residual support = 29.3:
          HN    GLU-  29 - HB3   ASN   28   3.67 +/- 0.11  87.440% * 47.7894% (0.45   5.73  32.53) =  86.764%  kept
          HN    GLN   30 - HB3   ASN   28   5.09 +/- 0.06  12.465% * 51.1391% (0.92   2.98   8.24) =  13.235%  kept
          HN    ASP-  86 - HB3   ASN   28  12.45 +/- 0.93   0.068% *  0.3226% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  15.11 +/- 0.83   0.020% *  0.2105% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  19.17 +/- 2.01   0.005% *  0.2978% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  22.23 +/- 4.58   0.003% *  0.2406% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.04, residual support = 94.2:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.02  98.390% * 99.8777% (0.92  10.0   6.04  94.16) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   7.08 +/- 0.20   1.558% *  0.0167% (0.15   1.0   0.02   2.88) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  12.70 +/- 0.68   0.049% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  20.61 +/- 0.73   0.003% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.371, support = 0.0198, residual support = 8.14:
          HN    GLN   30 - HB2   ASN   28   4.49 +/- 0.05  97.926% *  7.8959% (0.38   0.02   8.24) =  98.811%  kept
          HN    GLN   30 - HB2   ASN   35   9.55 +/- 0.95   1.280% *  2.4562% (0.12   0.02   0.02) =   0.402%
          HN    LYS+  99 - HB2   ASN   35  11.27 +/- 0.91   0.455% *  6.5298% (0.31   0.02   0.02) =   0.380%
          HN    ASP-  86 - HB2   ASN   28  13.18 +/- 0.76   0.163% *  6.4934% (0.31   0.02   0.02) =   0.135%
          HN    LYS+  99 - HB2   ASN   28  16.42 +/- 0.76   0.043% * 20.9915% (1.00   0.02   0.02) =   0.115%
          HN    GLU-  14 - HB2   ASN   28  18.54 +/- 2.01   0.025% * 19.9013% (0.95   0.02   0.02) =   0.063%
          HN    GLU-  14 - HB2   ASN   35  16.36 +/- 2.22   0.057% *  6.1907% (0.29   0.02   0.02) =   0.045%
          HE1   HIS  122 - HB2   ASN   35  19.78 +/- 5.95   0.029% *  6.5298% (0.31   0.02   0.02) =   0.024%
          HE1   HIS  122 - HB2   ASN   28  22.92 +/- 4.21   0.008% * 20.9915% (1.00   0.02   0.02) =   0.022%
          HN    ASP-  86 - HB2   ASN   35  19.75 +/- 1.26   0.015% *  2.0199% (0.10   0.02   0.02) =   0.004%
    Distance limit 3.15 A violated in 20 structures by 1.33 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.7, residual support = 94.2:
      O   HD21  ASN   28 - HB2   ASN   28   4.02 +/- 0.21  97.434% * 99.5979% (0.61  10.0   3.70  94.16) =  99.997%  kept
          HZ2   TRP   87 - HB2   ASN   28   7.87 +/- 0.77   2.342% *  0.1315% (0.80   1.0   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HB2   ASN   35  13.73 +/- 1.44   0.084% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  12.75 +/- 0.99   0.108% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  16.84 +/- 1.26   0.020% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  18.91 +/- 2.08   0.011% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.4, residual support = 19.5:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.01  96.620% * 98.9280% (0.49  10.0   5.40  19.50) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.60 +/- 0.17   2.142% *  0.0222% (0.11   1.0   0.02   1.52) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.61 +/- 0.34   0.946% *  0.0271% (0.13   1.0   0.02   0.16) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  11.42 +/- 2.32   0.152% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  15.41 +/- 2.24   0.019% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.73 +/- 0.92   0.047% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.29 +/- 0.71   0.010% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.28 +/- 0.64   0.022% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  15.69 +/- 2.19   0.016% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.56 +/- 0.69   0.009% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.49 +/- 4.38   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  20.05 +/- 4.94   0.005% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.50 +/- 5.30   0.005% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  17.91 +/- 0.96   0.006% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.29 +/- 0.77   0.002% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 5.21, residual support = 85.5:
      O   HN    GLU-  29 - HB2   GLU-  29   2.36 +/- 0.44  87.774% * 60.3702% (0.41  10.0   5.15  91.51) =  91.710%  kept
          HN    GLN   30 - HB2   GLU-  29   3.39 +/- 0.16  12.221% * 39.1945% (0.90   1.0   5.95  19.50) =   8.290%  kept
          HN    GLU-  14 - HB2   GLU-  29  14.94 +/- 2.08   0.003% *  0.1227% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  16.59 +/- 0.65   0.001% *  0.1227% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  17.99 +/- 0.65   0.001% *  0.0891% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  22.96 +/- 3.80   0.000% *  0.1009% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.499, support = 4.87, residual support = 78.4:
      O   HN    GLU-  29 - HB3   GLU-  29   3.22 +/- 0.49  69.006% * 66.1687% (0.41  10.0   4.93  91.51) =  81.857%  kept
          HN    GLN   30 - HB3   GLU-  29   3.76 +/- 0.25  30.537% * 33.1413% (0.90   1.0   4.59  19.50) =  18.143%  kept
          HN    GLN   30 - QB    GLU-  36   9.06 +/- 0.37   0.173% *  0.0447% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  11.02 +/- 2.36   0.147% *  0.0416% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  14.15 +/- 2.45   0.021% *  0.1344% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.11 +/- 0.45   0.091% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.48 +/- 0.56   0.016% *  0.0302% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  17.59 +/- 0.87   0.003% *  0.1344% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  17.97 +/- 0.74   0.003% *  0.0976% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  19.17 +/- 4.59   0.003% *  0.0343% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  23.00 +/- 3.93   0.001% *  0.1106% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  20.85 +/- 0.71   0.001% *  0.0416% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.905, support = 4.4, residual support = 91.1:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.89 +/- 0.12  29.806% * 95.1378% (0.99  10.0 10.00   4.41  91.51) =  90.947%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.49 +/- 0.08  70.138% *  4.0244% (0.04  10.0 10.00   4.30  86.76) =   9.053%  kept
        T HG2   GLU-  29 - QB    GLU-  36   8.80 +/- 0.66   0.041% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  10.88 +/- 0.90   0.011% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  16.03 +/- 0.87   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  17.71 +/- 0.77   0.001% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  17.92 +/- 1.05   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  18.92 +/- 0.89   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.35 +/- 1.08   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.05 +/- 0.82   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  20.97 +/- 0.50   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  27.62 +/- 2.32   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.07 +/- 0.95   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.21 +/- 0.70   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  26.33 +/- 2.01   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.33 +/- 0.50   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.157, residual support = 0.157:
          QD    LYS+  33 - HA    GLN   30   4.55 +/- 0.79  99.550% * 70.7227% (0.95   0.16   0.16) =  99.975%  kept
          HD2   LYS+  74 - HA    GLN   30  12.42 +/- 0.82   0.406% *  3.5729% (0.38   0.02   0.02) =   0.021%
          QB    ALA   57 - HA    GLN   30  19.32 +/- 1.06   0.030% *  6.5392% (0.69   0.02   0.02) =   0.003%
          HB3   LEU  123 - HA    GLN   30  25.88 +/- 2.27   0.005% *  9.0053% (0.95   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    GLN   30  29.54 +/- 1.63   0.003% *  6.9127% (0.73   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  26.51 +/- 2.68   0.006% *  3.2473% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 8 structures by 0.89 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.154, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   4.00 +/- 0.83  99.946% *  8.2693% (0.15   0.02   0.02) =  99.858%  kept
          QD2   LEU  123 - HA    GLN   30  21.55 +/- 1.68   0.011% * 48.0646% (0.90   0.02   0.02) =   0.066%
          HB3   LEU  104 - HA    GLN   30  18.81 +/- 0.74   0.018% * 22.0331% (0.41   0.02   0.02) =   0.048%
          QD1   LEU  123 - HA    GLN   30  19.80 +/- 1.88   0.019% *  8.2693% (0.15   0.02   0.02) =   0.019%
          HG3   LYS+ 121 - HA    GLN   30  23.72 +/- 2.83   0.005% * 13.3638% (0.25   0.02   0.02) =   0.009%
    Distance limit 3.90 A violated in 2 structures by 0.32 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.21, residual support = 155.3:
      O   HN    GLN   30 - HA    GLN   30   2.82 +/- 0.01  97.634% * 99.6773% (0.98  10.0   6.21 155.27) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   30   5.26 +/- 0.03   2.329% *  0.0576% (0.57   1.0   0.02  19.50) =   0.001%
          HN    GLU-  14 - HA    GLN   30  11.93 +/- 1.91   0.028% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.64 +/- 0.74   0.005% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  17.40 +/- 0.55   0.002% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.95 +/- 4.11   0.002% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.3, residual support = 155.3:
      O   HN    GLN   30 - HB2   GLN   30   3.47 +/- 0.07  97.068% * 99.6773% (0.98  10.0   6.30 155.27) =  99.998%  kept
          HN    GLU-  29 - HB2   GLN   30   6.25 +/- 0.09   2.818% *  0.0576% (0.57   1.0   0.02  19.50) =   0.002%
          HN    GLU-  14 - HB2   GLN   30  12.87 +/- 1.68   0.055% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  13.11 +/- 0.69   0.035% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  15.85 +/- 0.57   0.011% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.88 +/- 4.09   0.012% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.42, residual support = 155.3:
      O   HN    GLN   30 - HB3   GLN   30   2.21 +/- 0.10  99.063% * 99.4549% (0.65  10.0   6.42 155.27) = 100.000%  kept
          HN    GLU-  29 - HB3   GLN   30   4.81 +/- 0.14   0.931% *  0.0304% (0.20   1.0   0.02  19.50) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  14.14 +/- 1.65   0.002% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  13.80 +/- 0.73   0.002% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  14.63 +/- 0.54   0.001% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  17.99 +/- 4.02   0.001% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.644, support = 7.11, residual support = 154.3:
          HN    GLN   30 - HG2   GLN   30   2.90 +/- 0.25  96.264% * 82.6434% (0.65   7.13 155.27) =  99.252%  kept
          HN    GLU-  29 - HG2   GLN   30   5.00 +/- 0.30   3.709% * 16.1562% (0.20   4.55  19.50) =   0.748%  kept
          HN    GLU-  14 - HG2   GLN   30  12.79 +/- 1.65   0.018% *  0.3554% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  15.99 +/- 0.73   0.004% *  0.3110% (0.87   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  16.31 +/- 0.62   0.003% *  0.2030% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  19.32 +/- 3.55   0.002% *  0.3310% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.16, residual support = 155.3:
      O   HE21  GLN   30 - HG2   GLN   30   3.90 +/- 0.28  98.347% * 99.6917% (0.87  10.0   4.16 155.27) =  99.998%  kept
          HD1   TRP   27 - HG2   GLN   30   8.02 +/- 0.62   1.638% *  0.1147% (1.00   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HG2   GLN   30  17.72 +/- 1.72   0.013% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  25.59 +/- 1.55   0.002% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.67, residual support = 155.3:
      O   HE21  GLN   30 - HG3   GLN   30   3.63 +/- 0.45  86.440% * 99.5784% (0.87  10.0   2.67 155.27) =  99.997%  kept
          QD    PHE   59 - HB2   PRO   93   6.58 +/- 1.64  11.229% *  0.0089% (0.08   1.0   0.02   0.02) =   0.001%
          HD1   TRP   27 - HG3   GLN   30   8.53 +/- 0.73   0.818% *  0.1145% (1.00   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111   8.94 +/- 1.38   0.608% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  10.69 +/- 1.66   0.832% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  16.47 +/- 1.73   0.014% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  14.36 +/- 1.56   0.036% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  16.59 +/- 1.23   0.012% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  24.84 +/- 1.71   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  17.79 +/- 2.12   0.008% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.50 +/- 1.47   0.001% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.65 +/- 2.21   0.001% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.642, support = 5.84, residual support = 153.9:
          HN    GLN   30 - HG3   GLN   30   3.97 +/- 0.16  94.031% * 83.4114% (0.65   5.87 155.27) =  98.963%  kept
          HN    GLU-  29 - HG3   GLN   30   6.35 +/- 0.21   5.619% * 14.6027% (0.20   3.36  19.50) =   1.035%  kept
          HN    GLU-  14 - HG3   GLN   30  12.36 +/- 1.60   0.149% *  0.4357% (0.99   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG3   GLN   30  15.31 +/- 0.76   0.032% *  0.3813% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  18.06 +/- 3.57   0.016% *  0.4058% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  16.47 +/- 0.60   0.020% *  0.2489% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  16.51 +/- 2.14   0.025% *  0.0816% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  14.93 +/- 1.66   0.046% *  0.0316% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.73 +/- 0.74   0.026% *  0.0194% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  20.78 +/- 2.19   0.006% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  18.23 +/- 0.27   0.010% *  0.0297% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  21.58 +/- 1.25   0.004% *  0.0500% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  19.19 +/- 0.92   0.008% *  0.0222% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.14 +/- 1.53   0.001% *  0.0572% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  25.42 +/- 1.39   0.001% *  0.0340% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  20.81 +/- 0.95   0.005% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  32.42 +/- 2.10   0.000% *  0.0876% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.89 +/- 1.48   0.001% *  0.0175% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.21, support = 3.26, residual support = 24.5:
          QD2   LEU   73 - HB3   GLN   30   3.46 +/- 0.62  77.879% * 26.2571% (0.25  1.00   1.47   8.04) =  58.917%  kept
          HG    LEU   31 - HB3   GLN   30   4.55 +/- 0.58  22.113% * 64.4812% (0.15  1.00   5.82  48.16) =  41.081%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.24 +/- 1.42   0.006% *  6.9847% (0.49 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB3   GLN   30  22.40 +/- 2.72   0.001% *  1.4066% (0.98  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  20.95 +/- 1.44   0.002% *  0.8704% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 8.03:
          QD1   LEU   73 - HB3   GLN   30   2.91 +/- 0.75  98.641% * 96.9600% (0.87   3.25   8.04) =  99.992%  kept
          QD2   LEU   80 - HB3   GLN   30   7.42 +/- 0.76   0.919% *  0.6828% (0.99   0.02   0.02) =   0.007%
          QG1   VAL   83 - HB3   GLN   30   9.19 +/- 1.14   0.360% *  0.2832% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   GLN   30  12.47 +/- 0.93   0.030% *  0.5976% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  13.75 +/- 1.03   0.019% *  0.5976% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  12.46 +/- 1.30   0.029% *  0.1915% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  18.90 +/- 1.77   0.003% *  0.6874% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.707, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  19.89 +/- 1.58  23.236% * 54.6388% (0.97   0.02   0.02) =  52.896%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.51 +/- 2.82  16.492% * 36.6255% (0.65   0.02   0.02) =  25.167%  kept
          QD1   ILE   56 - HB2   GLN   30  16.83 +/- 1.43  60.272% *  8.7356% (0.15   0.02   0.02) =  21.937%  kept
    Distance limit 3.42 A violated in 20 structures by 11.94 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.09, residual support = 8.04:
          QD1   LEU   73 - HB2   GLN   30   2.53 +/- 0.74  99.704% * 96.8166% (0.87   3.09   8.04) =  99.998%  kept
          QD2   LEU   80 - HB2   GLN   30   8.60 +/- 0.80   0.157% *  0.7150% (0.99   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   GLN   30  10.47 +/- 1.17   0.074% *  0.2966% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   GLN   30  11.72 +/- 0.97   0.023% *  0.6257% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  12.94 +/- 0.99   0.017% *  0.6257% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  11.51 +/- 1.32   0.024% *  0.2006% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  18.29 +/- 1.73   0.002% *  0.7198% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.64, residual support = 155.3:
      O T HA    GLN   30 - HG3   GLN   30   3.24 +/- 0.48  93.625% * 98.6729% (0.65  10.0 10.00   4.64 155.27) =  99.999%  kept
        T HD3   PRO   52 - HB2   PRO   93   9.24 +/- 0.96   0.258% *  0.0863% (0.06   1.0 10.00   0.02   0.96) =   0.000%
          HB    THR   39 - HG3   GLN   30  10.30 +/- 1.00   0.129% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   PRO   93   6.19 +/- 1.30   4.614% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30  11.12 +/- 0.87   0.068% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   8.35 +/- 1.50   0.614% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  13.55 +/- 1.54   0.027% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.63 +/- 0.48   0.171% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93   9.59 +/- 1.71   0.407% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  17.12 +/- 1.58   0.007% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  17.77 +/- 0.90   0.005% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  14.13 +/- 1.14   0.020% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  14.41 +/- 1.16   0.018% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  19.74 +/- 0.93   0.002% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   LYS+ 111  13.77 +/- 0.78   0.022% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HG3   GLN   30  19.14 +/- 1.19   0.003% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  23.23 +/- 1.23   0.001% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  20.47 +/- 1.54   0.002% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.52 +/- 1.61   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.79 +/- 0.81   0.003% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  20.71 +/- 0.84   0.002% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  25.83 +/- 1.10   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  25.99 +/- 2.10   0.001% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.11 +/- 1.10   0.001% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.02 +/- 0.80   0.001% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  29.68 +/- 2.09   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  31.09 +/- 1.88   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.61, residual support = 12.2:
          HZ2   TRP   27 - QD1   LEU   31   2.93 +/- 0.32  99.978% * 99.7799% (0.87   1.61  12.18) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  12.66 +/- 1.03   0.022% *  0.2201% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.833, support = 0.691, residual support = 8.5:
          HZ2   TRP   87 - QD1   LEU   31   4.55 +/- 0.92  55.863% * 48.4036% (0.76   0.75   1.92) =  56.459%  kept
          HD21  ASN   28 - QD1   LEU   31   4.79 +/- 0.64  43.493% * 47.9396% (0.92   0.61  17.03) =  43.535%  kept
          HN    ALA   84 - QD1   LEU   31  10.26 +/- 0.59   0.301% *  0.4696% (0.28   0.02   0.02) =   0.003%
          QE    PHE   60 - QD1   LEU   31  11.57 +/- 1.73   0.298% *  0.3342% (0.20   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU   31  15.64 +/- 0.95   0.027% *  1.2908% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  19.08 +/- 1.30   0.008% *  1.0926% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  18.29 +/- 1.41   0.010% *  0.4696% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.83, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  10.64 +/- 0.63  56.175% * 52.6698% (0.97   0.02   0.02) =  78.132%  kept
          HN    ASP- 105 - QD1   LEU   31  11.18 +/- 0.85  42.615% * 18.6164% (0.34   0.02   0.02) =  20.950%  kept
          HN    PHE   55 - QD1   LEU   31  20.27 +/- 1.00   1.210% * 28.7138% (0.53   0.02   0.02) =   0.918%  kept
    Distance limit 4.15 A violated in 20 structures by 5.50 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.32, residual support = 229.9:
          HN    LEU   31 - HG    LEU   31   2.96 +/- 0.61  99.898% * 99.0978% (0.67   7.32 229.93) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.70 +/- 0.58   0.099% *  0.2096% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  20.20 +/- 1.01   0.002% *  0.2906% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  23.75 +/- 1.16   0.001% *  0.3212% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  24.35 +/- 1.15   0.001% *  0.0808% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.04, residual support = 229.9:
      O   HN    LEU   31 - HB3   LEU   31   3.54 +/- 0.02  99.517% * 99.3670% (0.34  10.0   7.04 229.93) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   8.68 +/- 0.47   0.480% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  21.30 +/- 0.91   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  25.71 +/- 1.14   0.001% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.767, support = 5.71, residual support = 43.8:
          HN    GLN   32 - HB3   LEU   31   3.90 +/- 0.18  78.319% * 85.1587% (0.76   5.93  45.63) =  95.581%  kept
          HN    ALA   34 - HB3   LEU   31   4.90 +/- 0.27  21.647% * 14.2442% (0.84   0.91   3.20) =   4.419%  kept
          HN    LEU   80 - HB3   LEU   31  15.83 +/- 0.64   0.018% *  0.2730% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  16.31 +/- 0.76   0.015% *  0.1411% (0.38   0.02   0.02) =   0.000%
          HN    CYSS  53 - HB3   LEU   31  24.20 +/- 0.82   0.001% *  0.1830% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.56, residual support = 17.0:
        T HA    ASN   28 - HB2   LEU   31   3.41 +/- 0.27  98.033% * 98.0556% (0.73 10.00   2.56  17.03) =  99.988%  kept
        T HA    ALA   34 - HB2   LEU   31   7.69 +/- 0.26   0.861% *  1.2110% (0.90 10.00   0.02   3.20) =   0.011%
          HA1   GLY  101 - HB2   LEU   31   9.84 +/- 2.55   0.678% *  0.1338% (0.99  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.52 +/- 0.24   0.424% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  22.38 +/- 1.63   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  26.08 +/- 3.31   0.001% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  24.91 +/- 1.21   0.001% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYSS  53 - HB2   LEU   31  23.21 +/- 0.96   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  26.33 +/- 1.76   0.001% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.04, residual support = 229.9:
      O   HN    LEU   31 - HB2   LEU   31   2.54 +/- 0.13  99.963% * 99.3670% (0.34  10.0   7.04 229.93) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.64 +/- 0.35   0.037% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  22.07 +/- 0.81   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  25.92 +/- 1.18   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.761, support = 5.9, residual support = 45.5:
          HN    GLN   32 - HB2   LEU   31   2.80 +/- 0.18  97.772% * 85.1589% (0.76   5.93  45.63) =  99.622%  kept
          HN    ALA   34 - HB2   LEU   31   5.36 +/- 0.17   2.221% * 14.2439% (0.84   0.91   3.20) =   0.378%
          HN    LEU   80 - HB2   LEU   31  14.99 +/- 0.62   0.004% *  0.2730% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  15.87 +/- 0.75   0.003% *  0.1411% (0.38   0.02   0.02) =   0.000%
          HN    CYSS  53 - HB2   LEU   31  24.38 +/- 0.74   0.000% *  0.1830% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.04, residual support = 229.9:
      O   HN    LEU   31 - HA    LEU   31   2.80 +/- 0.04  99.788% * 99.3670% (0.34  10.0   7.04 229.93) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.85 +/- 0.29   0.211% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  19.87 +/- 0.69   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  24.97 +/- 1.16   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.774, support = 5.24, residual support = 39.6:
      O   HN    GLN   32 - HA    LEU   31   3.58 +/- 0.03  27.194% * 93.9715% (0.76  10.0   5.93  45.63) =  85.750%  kept
          HN    ALA   34 - HA    LEU   31   3.03 +/- 0.20  72.800% *  5.8332% (0.84   1.0   1.14   3.20) =  14.250%  kept
          HN    LEU   80 - HA    LEU   31  15.89 +/- 0.60   0.004% *  0.0893% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  17.41 +/- 0.65   0.002% *  0.0461% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYSS  53 - HA    LEU   31  23.64 +/- 0.63   0.000% *  0.0599% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 3.34:
          QD1   LEU   73 - HA    LEU   31   3.79 +/- 0.51  99.081% * 87.6996% (0.49   1.22   3.35) =  99.975%  kept
          QD1   LEU  104 - HA    LEU   31  11.09 +/- 0.84   0.253% *  2.9172% (0.99   0.02   0.02) =   0.008%
          QD2   LEU   80 - HA    LEU   31  10.36 +/- 0.66   0.288% *  2.5530% (0.87   0.02   0.02) =   0.008%
          QG1   VAL   83 - HA    LEU   31  11.06 +/- 1.18   0.215% *  2.3567% (0.80   0.02   0.02) =   0.006%
          QD1   LEU   63 - HA    LEU   31  12.67 +/- 0.89   0.092% *  1.4326% (0.49   0.02   0.02) =   0.002%
          QG2   ILE   89 - HA    LEU   31  13.37 +/- 0.54   0.063% *  0.5825% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   31  19.10 +/- 1.53   0.008% *  2.4584% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 2.79, residual support = 9.48:
          HD1   TRP   87 - QG2   VAL   83   3.27 +/- 0.66  91.531% * 80.8347% (0.53   2.81   9.48) =  98.788%  kept
          HE3   TRP   87 - QG2   VAL   83   5.72 +/- 0.35   5.668% * 15.4896% (0.45   0.63   9.48) =   1.172%  kept
          HN    TRP   27 - QG2   VAL   83   6.37 +/- 0.40   2.612% *  1.0928% (1.00   0.02   1.97) =   0.038%
          HN    ALA   91 - QG2   VAL   83   9.71 +/- 0.70   0.159% *  0.9128% (0.84   0.02   0.02) =   0.002%
          HN    THR   39 - QG2   VAL   83  15.92 +/- 0.60   0.010% *  0.6187% (0.57   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   VAL   83  16.98 +/- 1.23   0.006% *  0.8351% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  15.00 +/- 0.63   0.015% *  0.2163% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  15.89 +/- 1.27 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.08 A violated in 20 structures by 12.81 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.512, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QG2   VAL   42   7.79 +/- 1.75  63.461% * 17.5479% (0.39   0.02   0.02) =  51.940%  kept
          HE21  GLN   30 - QG2   VAL   42   8.82 +/- 1.04  30.443% * 30.1124% (0.67   0.02   0.02) =  42.756%  kept
          HD1   TRP   27 - QG2   VAL   42  11.86 +/- 0.86   5.705% * 17.5479% (0.39   0.02   0.02) =   4.670%  kept
          HH2   TRP   49 - QG2   VAL   42  18.65 +/- 1.42   0.391% * 34.7918% (0.77   0.02   0.02) =   0.635%  kept
    Distance limit 3.27 A violated in 20 structures by 3.76 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.79, support = 0.327, residual support = 1.19:
          QD2   LEU   40 - QG2   VAL   42   3.06 +/- 1.10  69.569% * 65.1595% (0.79  1.00   0.34   1.22) =  97.488%  kept
          QD1   LEU   67 - QG2   VAL   42   4.50 +/- 1.56  23.863% *  3.9116% (0.80  1.00   0.02   0.02) =   2.007%  kept
        T HB    VAL   75 - QG2   VAL   42   9.60 +/- 1.09   0.591% * 19.0824% (0.39 10.00   0.02   0.02) =   0.243%
          QD2   LEU   71 - QG2   VAL   42   6.02 +/- 0.32   3.270% *  1.9082% (0.39  1.00   0.02   5.64) =   0.134%
          QG2   ILE  103 - QG2   VAL   42   7.36 +/- 0.85   0.670% *  3.8857% (0.79  1.00   0.02   0.02) =   0.056%
          HG3   LYS+  74 - QG2   VAL   42  10.03 +/- 1.15   0.408% *  3.7085% (0.76  1.00   0.02   0.02) =   0.033%
          QD1   ILE  103 - QG2   VAL   42   7.73 +/- 1.01   0.639% *  1.4713% (0.30  1.00   0.02   0.02) =   0.020%
          QG2   ILE  119 - QG2   VAL   42   7.76 +/- 1.89   0.989% *  0.8728% (0.18  1.00   0.02   0.02) =   0.019%
    Distance limit 2.99 A violated in 3 structures by 0.33 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.909, support = 3.55, residual support = 11.8:
        T HZ2   TRP   27 - QD2   LEU   31   4.08 +/- 0.55  27.555% * 96.4445% (0.99 10.00   3.78  12.18) =  91.164%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.33 +/- 0.92  72.445% *  3.5555% (0.07 10.00   1.09   7.96) =   8.836%  kept
    Distance limit 3.24 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 48.2:
          HE22  GLN   30 - QD2   LEU   31   4.01 +/- 0.15  89.006% * 99.1219% (0.90   3.20  48.16) =  99.994%  kept
          HE22  GLN   30 - QG2   VAL   43   6.91 +/- 1.63  10.802% *  0.0419% (0.06   0.02   0.02) =   0.005%
          HD22  ASN   69 - QD2   LEU   31  13.24 +/- 1.38   0.092% *  0.4469% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  18.16 +/- 0.56   0.011% *  0.3362% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.87 +/- 0.37   0.053% *  0.0228% (0.03   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.88 +/- 0.70   0.037% *  0.0302% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.4:
      O T HA    VAL   43 - QG2   VAL   43   2.21 +/- 0.23  98.986% * 99.3737% (0.50  10.0 10.00   3.00  60.40) =  99.997%  kept
        T HA    VAL   43 - QD2   LEU   31   4.96 +/- 0.59   0.953% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HA    HIS   22 - QG2   VAL   43   8.81 +/- 1.05   0.037% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.13 +/- 0.80   0.016% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  13.76 +/- 0.49   0.002% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  11.64 +/- 0.99   0.005% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.208, support = 1.79, residual support = 11.4:
        T HZ3   TRP   27 - QD2   LEU   31   2.54 +/- 1.30  65.386% * 70.3562% (0.14 10.00   1.72  12.18) =  81.763%  kept
          HZ3   TRP   27 - QG2   VAL   43   2.68 +/- 0.65  34.614% * 29.6438% (0.50  1.00   2.08   7.96) =  18.237%  kept
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.917, support = 4.2, residual support = 44.0:
          HN    GLN   32 - QG    GLN   32   3.24 +/- 0.76  94.868% * 85.9803% (0.92   4.22  44.35) =  99.163%  kept
          HN    ALA   34 - QG    GLN   32   5.77 +/- 0.18   5.119% * 13.4478% (0.22   2.73   0.02) =   0.837%  kept
          HN    SER   85 - QG    GLN   32  17.99 +/- 1.17   0.005% *  0.4264% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  16.67 +/- 1.23   0.007% *  0.0682% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.21 +/- 1.11   0.002% *  0.0774% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.22, residual support = 44.4:
      O   HN    GLN   32 - QB    GLN   32   2.21 +/- 0.16  99.144% * 99.8359% (0.92  10.0   4.22  44.35) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.95 +/- 0.11   0.855% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    GLN   32  17.70 +/- 0.98   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  15.84 +/- 0.60   0.001% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.46 +/- 0.80   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.216, support = 5.76, residual support = 65.9:
      O   HN    GLU-  29 - HA    GLU-  29   2.70 +/- 0.01  81.762% * 27.4129% (0.14  10.0   5.95  91.51) =  64.482%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.01  17.358% * 71.1184% (0.36  10.0   5.40  19.50) =  35.516%  kept
          HN    GLN   30 - HA    GLN   32   6.60 +/- 0.17   0.385% *  0.1093% (0.55   1.0   0.02   1.52) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.61 +/- 0.34   0.169% *  0.1125% (0.57   1.0   0.02   0.16) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.29 +/- 0.22   0.214% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  11.42 +/- 2.32   0.027% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.11 +/- 0.48   0.059% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.73 +/- 0.92   0.008% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.28 +/- 0.64   0.004% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  15.69 +/- 2.19   0.003% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  15.41 +/- 2.24   0.003% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.29 +/- 0.71   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.56 +/- 0.69   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  17.91 +/- 0.96   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  20.05 +/- 4.94   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.50 +/- 5.30   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.29 +/- 0.77   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.49 +/- 4.38   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.16, residual support = 44.3:
      O   HN    GLN   32 - HA    GLN   32   2.72 +/- 0.03  77.437% * 98.5666% (0.39  10.0   4.16  44.35) =  99.832%  kept
          HN    GLN   32 - HA    GLU-  29   3.39 +/- 0.15  21.109% *  0.6022% (0.25   1.0   0.19   0.02) =   0.166%
          HN    GLN   32 - HA    LYS+  33   5.29 +/- 0.07   1.450% *  0.1014% (0.40   1.0   0.02  11.53) =   0.002%
          HN    SER   85 - HA    GLU-  29  18.01 +/- 0.66   0.001% *  0.1046% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  19.79 +/- 0.86   0.001% *  0.1607% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  22.90 +/- 0.70   0.000% *  0.1654% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.41 +/- 0.84   0.000% *  0.0847% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  20.53 +/- 0.70   0.000% *  0.0552% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.58 +/- 0.63   0.000% *  0.0872% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.54 +/- 0.50   0.001% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.00 +/- 0.61   0.000% *  0.0269% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.43 +/- 0.67   0.000% *  0.0276% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.654, support = 5.51, residual support = 141.5:
      O   HN    LYS+  33 - HA    LYS+  33   2.85 +/- 0.02  75.872% * 79.3011% (0.69  10.0   5.60 150.46) =  93.515%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.55 +/- 0.01  20.454% * 20.3940% (0.18  10.0   4.25  11.53) =   6.483%  kept
          HN    LYS+  33 - HA    GLU-  29   4.86 +/- 0.45   3.648% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.75 +/- 0.39   0.016% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  14.61 +/- 0.61   0.004% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.89 +/- 0.40   0.004% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  22.43 +/- 0.63   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.14 +/- 1.93   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  18.80 +/- 0.71   0.001% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  19.55 +/- 0.87   0.001% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.21 +/- 2.10   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  26.47 +/- 1.50   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.392, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - QB    LYS+  33   8.70 +/- 1.05  91.063% *  5.4417% (0.14   0.02   0.02) =  63.832%  kept
          QD    PHE   60 - QB    LYS+  33  14.65 +/- 1.05   5.258% * 37.1179% (0.92   0.02   0.02) =  25.140%  kept
          HN    LYS+  66 - QB    LYS+  33  16.35 +/- 1.10   2.777% * 18.0271% (0.45   0.02   0.02) =   6.448%  kept
          HN    LYS+  81 - QB    LYS+  33  19.04 +/- 0.85   0.902% * 39.4132% (0.98   0.02   0.02) =   4.580%  kept
    Distance limit 3.59 A violated in 20 structures by 4.95 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 150.5:
      O   HN    LYS+  33 - QB    LYS+  33   2.21 +/- 0.29  99.991% * 99.9232% (0.97  10.0   5.76 150.46) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  11.00 +/- 0.62   0.008% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  21.29 +/- 1.51   0.000% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.914, support = 5.86, residual support = 42.2:
          HN    ALA   34 - QB    LYS+  33   2.89 +/- 0.21  92.925% * 67.7512% (0.92   5.93  43.26) =  96.549%  kept
          HN    GLN   32 - QB    LYS+  33   4.60 +/- 0.32   7.071% * 31.8229% (0.65   3.97  11.53) =   3.451%  kept
          HN    LEU   80 - QB    LYS+  33  16.64 +/- 0.78   0.003% *  0.2068% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  19.46 +/- 0.75   0.001% *  0.0688% (0.28   0.02   0.02) =   0.000%
          HN    CYSS  53 - QB    LYS+  33  23.65 +/- 0.88   0.000% *  0.1502% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.327, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33   9.95 +/- 1.73  89.365% *  8.4971% (0.20   0.02   0.02) =  72.127%  kept
          HN    ILE  103 - QB    LYS+  33  16.00 +/- 0.55   6.975% * 24.3087% (0.57   0.02   0.02) =  16.105%  kept
          HN    SER   82 - QB    LYS+  33  19.36 +/- 1.04   2.417% * 34.3809% (0.80   0.02   0.02) =   7.894%  kept
          HN    GLN   90 - QB    LYS+  33  21.33 +/- 1.04   1.243% * 32.8133% (0.76   0.02   0.02) =   3.874%  kept
    Distance limit 3.79 A violated in 20 structures by 5.93 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.526, support = 5.39, residual support = 150.4:
      O   HA    LYS+  33 - HG2   LYS+  33   3.85 +/- 0.08  80.466% * 98.3393% (0.53  10.0   5.39 150.46) =  99.977%  kept
          HB2   SER   37 - HG2   LYS+  33   6.33 +/- 1.28   8.610% *  0.1561% (0.84   1.0   0.02   0.02) =   0.017%
          HB2   SER   82 - QG    LYS+  81   5.94 +/- 0.64   7.549% *  0.0249% (0.13   1.0   0.02  11.89) =   0.002%
          HA    GLU-  29 - HG2   LYS+  33   7.60 +/- 0.95   2.038% *  0.0702% (0.38   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+  33   8.80 +/- 1.37   0.795% *  0.1561% (0.84   1.0   0.02   0.02) =   0.002%
          HA1   GLY   16 - HG2   LYS+  33  11.99 +/- 2.24   0.190% *  0.0910% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+  33  10.53 +/- 1.21   0.257% *  0.0638% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.63 +/- 1.07   0.029% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.05 +/- 0.69   0.016% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  17.45 +/- 0.70   0.010% *  0.0336% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  21.10 +/- 0.76   0.003% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.63 +/- 0.60   0.006% *  0.0387% (0.21   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  18.13 +/- 0.58   0.008% *  0.0305% (0.16   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  24.85 +/- 1.97   0.001% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.58 +/- 0.87   0.003% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.72 +/- 0.25   0.002% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  23.56 +/- 1.86   0.002% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  19.95 +/- 1.02   0.004% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.10 +/- 1.02   0.003% *  0.0425% (0.23   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  22.47 +/- 1.19   0.002% *  0.0552% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  22.61 +/- 1.24   0.002% *  0.0520% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  22.23 +/- 0.72   0.002% *  0.0471% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.44 +/- 0.80   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  24.35 +/- 0.69   0.001% *  0.0436% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.7, residual support = 123.2:
        T QD1   ILE   56 - QG2   ILE   56   2.45 +/- 0.61  99.929% * 99.6085% (0.98 10.00   4.70 123.22) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  11.95 +/- 1.77   0.025% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  14.51 +/- 1.88   0.008% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.57 +/- 1.19   0.010% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.09 +/- 1.63   0.025% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  17.28 +/- 2.49   0.003% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
        T HA    CYSS  53 - QG2   ILE   56   3.26 +/- 1.26  98.538% * 49.9558% (0.99 10.00   0.02   0.02) =  99.936%  kept
          HA    GLU- 114 - QG2   ILE   56   9.54 +/- 0.88   1.419% *  1.2568% (0.25  1.00   0.02   0.02) =   0.036%
        T HA    ILE   19 - QG2   ILE   56  14.74 +/- 1.45   0.031% * 42.0992% (0.84 10.00   0.02   0.02) =   0.027%
          HA    THR   26 - QG2   ILE   56  19.69 +/- 1.82   0.005% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  20.85 +/- 2.08   0.003% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  20.27 +/- 2.94   0.004% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 5 structures by 0.58 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.85, support = 3.06, residual support = 14.8:
          HA    PHE   55 - QG2   ILE   56   5.22 +/- 0.58  26.074% * 87.1178% (0.92   3.89  18.37) =  73.655%  kept
          HA    ALA  110 - QG2   ILE   56   5.06 +/- 3.19  68.904% * 11.7836% (0.65   0.75   4.75) =  26.328%  kept
          HA    THR   46 - QG2   ILE   56   7.06 +/- 2.07   4.748% *  0.0961% (0.20   0.02   0.02) =   0.015%
          HA    VAL   42 - QG2   ILE   56  12.07 +/- 2.26   0.137% *  0.3890% (0.80   0.02   0.02) =   0.002%
          HA    GLN   90 - QG2   ILE   56  12.86 +/- 1.72   0.076% *  0.3712% (0.76   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  13.82 +/- 1.16   0.058% *  0.1211% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.47 +/- 1.76   0.002% *  0.1211% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 2 structures by 0.49 A, kept.
 
    Peak 2495 (6.89, 1.27, 17.92 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG2   ILE   56  10.21 +/- 0.69 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.91 A violated in 20 structures by 7.31 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.34, residual support = 33.9:
          HN    ALA   57 - QG2   ILE   56   3.03 +/- 0.83  98.603% * 99.1190% (0.92   5.34  33.92) =  99.995%  kept
          HE21  GLN  116 - QG2   ILE   56   9.30 +/- 1.94   1.096% *  0.3490% (0.87   0.02   0.02) =   0.004%
          HN    ALA  120 - QG2   ILE   56  10.13 +/- 1.24   0.277% *  0.1959% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   90 - QG2   ILE   56  14.76 +/- 2.30   0.024% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.61, residual support = 123.2:
          HN    ILE   56 - QG2   ILE   56   2.70 +/- 0.41  93.046% * 98.5223% (0.65   6.61 123.22) =  99.991%  kept
          QE    PHE   60 - QG2   ILE   56   6.16 +/- 1.54   3.957% *  0.0912% (0.20   0.02   4.01) =   0.004%
          HN    LYS+ 111 - QG2   ILE   56   6.50 +/- 2.38   2.602% *  0.1282% (0.28   0.02   2.20) =   0.004%
          HN    LEU   63 - QG2   ILE   56   7.58 +/- 0.75   0.387% *  0.3523% (0.76   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  16.45 +/- 2.46   0.003% *  0.3523% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  18.41 +/- 2.32   0.001% *  0.4255% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  15.41 +/- 2.24   0.004% *  0.1282% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 2.86, residual support = 8.94:
        T HB    THR   39 - QB    ALA   34   3.30 +/- 0.75  81.170% * 92.2461% (0.80 10.00   2.88   9.03) =  99.104%  kept
          HB3   SER   37 - QB    ALA   34   4.97 +/- 0.46  12.629% *  3.4934% (0.69  1.00   0.89   0.02) =   0.584%  kept
          HA    GLN   30 - QB    ALA   34   5.46 +/- 0.33   6.096% *  3.8724% (0.44  1.00   1.55   0.34) =   0.312%
          QB    SER   13 - QB    ALA   34  11.67 +/- 1.68   0.076% *  0.0949% (0.83  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  15.91 +/- 0.37   0.009% *  0.0786% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  17.29 +/- 1.29   0.006% *  0.1019% (0.89  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.84 +/- 1.86   0.011% *  0.0386% (0.34  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  22.75 +/- 0.53   0.001% *  0.0582% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - QB    ALA   34  19.44 +/- 0.51   0.003% *  0.0159% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 3.2:
          HA    LEU   31 - QB    ALA   34   2.40 +/- 0.26 100.000% *100.0000% (0.65   0.75   3.20) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.749, support = 2.96, residual support = 9.44:
        T QG1   VAL   41 - QB    ALA   34   2.02 +/- 0.30  98.258% * 98.5777% (0.75 10.00   2.96   9.44) =  99.998%  kept
          QD2   LEU   73 - QB    ALA   34   4.79 +/- 0.68   0.814% *  0.0945% (0.72  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QB    ALA   34   4.99 +/- 0.58   0.670% *  0.1089% (0.83  1.00   0.02   3.20) =   0.001%
          QG1   VAL   43 - QB    ALA   34   5.76 +/- 0.33   0.245% *  0.0763% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34   9.94 +/- 0.53   0.010% *  0.4852% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.06 +/- 1.40   0.001% *  0.6209% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  12.88 +/- 0.58   0.002% *  0.0364% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.31, residual support = 18.7:
          HN    ASN   35 - QB    ALA   34   2.96 +/- 0.06  99.908% * 98.5992% (0.62   3.31  18.75) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34   9.72 +/- 0.31   0.081% *  0.2677% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  14.77 +/- 1.92   0.009% *  0.8654% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  19.02 +/- 0.71   0.001% *  0.2677% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.72, residual support = 25.5:
      O   HN    ALA   34 - QB    ALA   34   1.99 +/- 0.07  99.997% * 99.6936% (0.58  10.0   3.72  25.53) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.60 +/- 0.25   0.003% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  15.49 +/- 0.40   0.000% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYSS  53 - QB    ALA   34  20.57 +/- 0.44   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.866, support = 3.52, residual support = 25.5:
      O   HN    ALA   34 - HA    ALA   34   2.76 +/- 0.01  99.635% * 99.6949% (0.87  10.0   3.52  25.53) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   7.05 +/- 0.10   0.363% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA   34  20.41 +/- 0.54   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYSS  53 - HA    ALA   34  26.29 +/- 0.64   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    CYSS  53 - HA    ALA  124  26.28 +/- 3.16   0.001% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  23.40 +/- 4.03   0.000% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  31.70 +/- 1.66   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  26.94 +/- 3.31   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.88, support = 2.78, residual support = 8.37:
          HB    THR   39 - HA    ALA   34   2.89 +/- 0.66  69.492% * 82.1998% (0.88   2.96   9.03) =  92.732%  kept
          HB3   SER   37 - HA    ALA   34   3.52 +/- 0.54  30.129% * 14.8571% (0.89   0.53   0.02) =   7.267%  kept
          HA    GLN   30 - HA    ALA   34   7.17 +/- 0.49   0.349% *  0.0993% (0.16   0.02   0.34) =   0.001%
          QB    SER   13 - HA    ALA   34  12.28 +/- 2.19   0.020% *  0.5474% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.27 +/- 0.45   0.005% *  0.0995% (0.16   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.47 +/- 2.16   0.001% *  0.4335% (0.69   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  21.40 +/- 0.47   0.000% *  0.5659% (0.89   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  19.04 +/- 4.95   0.002% *  0.1276% (0.20   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  22.86 +/- 1.57   0.000% *  0.4119% (0.65   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  22.08 +/- 5.09   0.001% *  0.1299% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  23.20 +/- 3.76   0.000% *  0.1257% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.15 +/- 4.31   0.001% *  0.0290% (0.05   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  27.05 +/- 0.86   0.000% *  0.1299% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  29.02 +/- 0.77   0.000% *  0.1263% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  25.95 +/- 2.85   0.000% *  0.0228% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  35.41 +/- 1.71   0.000% *  0.0945% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.04, residual support = 55.5:
      O T HA    ASN   35 - HB2   ASN   35   2.77 +/- 0.06  99.842% * 97.5620% (0.90  10.0 10.00   4.04  55.55) =  99.999%  kept
        T HA    LEU   40 - HB2   ASN   35   9.49 +/- 0.43   0.065% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   35   9.76 +/- 0.83   0.064% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.40 +/- 0.27   0.013% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  15.77 +/- 1.39   0.004% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.42 +/- 0.44   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  17.28 +/- 1.20   0.002% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  17.03 +/- 2.61   0.003% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  15.91 +/- 0.72   0.003% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  24.83 +/- 4.26   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  19.79 +/- 2.54   0.001% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  29.32 +/- 2.35   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  27.93 +/- 1.14   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  27.27 +/- 1.57   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  28.58 +/- 2.12   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  31.21 +/- 1.36   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  26.85 +/- 0.80   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  31.40 +/- 1.85   0.000% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.89, residual support = 55.5:
      O   HN    ASN   35 - HB2   ASN   35   2.73 +/- 0.62  99.879% * 99.6071% (0.57  10.0   5.89  55.55) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  11.27 +/- 0.91   0.035% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.16 +/- 0.22   0.068% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  16.36 +/- 2.22   0.005% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  19.78 +/- 5.95   0.002% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  16.42 +/- 0.76   0.004% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  18.79 +/- 2.66   0.003% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  18.54 +/- 2.01   0.002% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.92 +/- 4.21   0.001% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  22.10 +/- 3.05   0.001% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 55.5:
      O   HD21  ASN   35 - HB2   ASN   35   2.77 +/- 0.62  99.852% * 99.7208% (1.00  10.0   3.60  55.55) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28   9.68 +/- 0.62   0.126% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  12.97 +/- 0.39   0.018% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  20.07 +/- 1.09   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.78 +/- 0.81   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  23.73 +/- 1.58   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  21.85 +/- 1.77   0.001% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.16 +/- 1.00   0.001% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.45 +/- 2.04   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  27.06 +/- 1.52   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.931, support = 2.32, residual support = 8.09:
        T HA    GLN   32 - HB2   ASN   35   3.47 +/- 0.73  59.588% * 76.2101% (0.99 10.00   2.17   6.57) =  93.041%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.78 +/- 0.08  36.291% *  8.1588% (0.11 10.00   4.70  32.53) =   6.066%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.57 +/- 0.34   3.060% * 14.1724% (0.22 10.00   1.66   0.92) =   0.888%  kept
        T HA    GLN   32 - HB2   ASN   28   7.36 +/- 0.31   0.682% *  0.2371% (0.31 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB2   ASN   35   8.55 +/- 0.71   0.225% *  0.2623% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.23 +/- 0.50   0.098% *  0.0533% (0.07 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  22.79 +/- 0.98   0.001% *  0.3447% (0.45 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  13.85 +/- 1.35   0.019% *  0.0107% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  14.39 +/- 0.72   0.013% *  0.0090% (0.12  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  17.12 +/- 1.20   0.004% *  0.0289% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  17.72 +/- 0.74   0.004% *  0.0234% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  19.35 +/- 1.87   0.002% *  0.0289% (0.38  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  24.11 +/- 1.44   0.001% *  0.1072% (0.14 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  15.97 +/- 0.62   0.007% *  0.0090% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  22.73 +/- 1.27   0.001% *  0.0754% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  20.66 +/- 1.11   0.001% *  0.0289% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  22.83 +/- 1.31   0.001% *  0.0345% (0.45  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  21.52 +/- 1.29   0.001% *  0.0200% (0.26  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  21.30 +/- 1.31   0.001% *  0.0090% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  28.67 +/- 1.57   0.000% *  0.0642% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  25.16 +/- 0.66   0.000% *  0.0234% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  30.46 +/- 1.10   0.000% *  0.0754% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  26.12 +/- 3.09   0.000% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  28.89 +/- 1.38   0.000% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.88, residual support = 52.1:
          QB    GLU-  36 - HB3   ASN   35   4.15 +/- 0.12  97.112% * 98.6172% (0.99   4.88  52.14) =  99.996%  kept
          HB3   GLU-  29 - HB3   ASN   35  10.26 +/- 0.65   0.482% *  0.3761% (0.92   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HB3   ASN   35   7.85 +/- 0.30   2.149% *  0.0714% (0.18   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB3   ASN   35  11.33 +/- 0.45   0.251% *  0.2307% (0.57   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HB3   ASN   35  22.16 +/- 1.31   0.005% *  0.3932% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  26.91 +/- 1.22   0.001% *  0.3114% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.791, support = 5.15, residual support = 47.0:
          QB    GLU-  36 - HB2   ASN   35   4.73 +/- 0.28  34.789% * 68.8856% (0.99  1.00   5.29  52.14) =  73.820%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.75 +/- 0.61  40.285% * 11.4389% (0.18  1.00   4.94  32.53) =  14.195%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.22 +/- 0.50  22.511% * 17.2730% (0.29  1.00   4.57  32.53) =  11.977%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.81 +/- 0.35   1.641% *  0.0461% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB2   ASN   35  10.59 +/- 0.71   0.286% *  0.2428% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  79 - HB2   ASN   28  13.24 +/- 1.04   0.074% *  0.7895% (0.30 10.00   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB2   ASN   35  11.67 +/- 0.77   0.160% *  0.1489% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  10.86 +/- 0.47   0.231% *  0.0811% (0.31  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   90 - HB2   ASN   28  20.71 +/- 1.10   0.005% *  0.6252% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  22.15 +/- 1.61   0.003% *  0.2538% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  26.59 +/- 1.09   0.001% *  0.2010% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.46 +/- 0.21   0.013% *  0.0143% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.525, support = 1.94, residual support = 6.07:
          HA    GLN   32 - HB3   ASN   35   3.17 +/- 0.46  92.933% * 37.7168% (0.49  1.00   1.99   6.57) =  91.145%  kept
          HA    LYS+  33 - HB3   ASN   35   5.05 +/- 0.27   6.707% * 50.7283% (0.92  1.00   1.41   0.92) =   8.847%  kept
          HA    GLU-  29 - HB3   ASN   35   8.25 +/- 0.50   0.324% *  0.7707% (0.99  1.00   0.02   0.02) =   0.006%
        T HA    VAL   18 - HB3   ASN   35  17.06 +/- 0.97   0.004% *  7.7588% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  12.43 +/- 0.41   0.030% *  0.5030% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  22.98 +/- 1.34   0.001% *  0.7759% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  23.10 +/- 1.00   0.001% *  0.4091% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  28.01 +/- 1.34   0.000% *  0.5030% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  28.73 +/- 1.20   0.000% *  0.5943% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  30.66 +/- 0.85   0.000% *  0.2400% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.5:
      O   HA    ASN   35 - HB3   ASN   35   2.99 +/- 0.04  99.828% * 99.4336% (0.90  10.0   3.95  55.55) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35  10.22 +/- 0.95   0.076% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35   9.83 +/- 0.47   0.084% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  15.54 +/- 1.51   0.006% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  16.60 +/- 2.68   0.005% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  25.08 +/- 3.89   0.000% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  29.55 +/- 1.81   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  28.07 +/- 0.86   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.59 +/- 1.59   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 55.5:
      O   HD21  ASN   35 - HB3   ASN   35   2.70 +/- 0.48  99.998% * 99.8105% (1.00  10.0   3.26  55.55) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.96 +/- 0.73   0.001% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.86 +/- 0.60   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  30.60 +/- 1.51   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  27.42 +/- 1.29   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 52.1:
          HN    GLU-  36 - HB3   ASN   35   2.98 +/- 0.09  99.250% * 98.9717% (0.97   5.91  52.14) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   6.82 +/- 0.20   0.702% *  0.3112% (0.90   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   ASN   35  11.85 +/- 1.61   0.036% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  13.85 +/- 0.61   0.010% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  18.22 +/- 0.99   0.002% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 55.5:
      O   HN    ASN   35 - HB3   ASN   35   2.59 +/- 0.43  99.998% * 99.9102% (0.97  10.0   5.88  55.55) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  18.27 +/- 2.74   0.002% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 55.5:
      O   HD22  ASN   35 - HB3   ASN   35   3.72 +/- 0.23 100.000% *100.0000% (0.99  10.0   3.26  55.55) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 52.1:
          HN    GLU-  36 - HB2   ASN   35   3.47 +/- 0.13  97.898% * 98.9280% (0.92   6.05  52.14) =  99.996%  kept
          HN    THR   39 - HB2   ASN   35   6.79 +/- 0.20   1.801% *  0.1863% (0.53   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   35  11.26 +/- 1.75   0.137% *  0.3533% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   ASN   28  11.42 +/- 0.34   0.079% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  12.47 +/- 0.88   0.053% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  17.92 +/- 1.25   0.006% *  0.2005% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  14.62 +/- 0.34   0.018% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  16.86 +/- 1.68   0.009% *  0.1099% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.58, residual support = 86.8:
      O T HA    GLU-  36 - QB    GLU-  36   2.41 +/- 0.19  99.990% * 99.4140% (0.84  10.0 10.00   5.58  86.76) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  11.98 +/- 0.76   0.008% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  19.66 +/- 1.03   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  18.64 +/- 1.03   0.001% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  23.41 +/- 0.65   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  23.72 +/- 4.11   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  23.75 +/- 1.18   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  28.55 +/- 1.63   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.33 +/- 1.89   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  30.13 +/- 2.65   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 18.8:
          HN    SER   37 - QB    GLU-  36   3.37 +/- 0.24  84.691% * 95.6956% (0.45   3.72  18.80) =  99.949%  kept
          HN    LYS+  33 - QB    GLU-  36   4.71 +/- 0.22  11.790% *  0.3191% (0.28   0.02   0.02) =   0.046%
          HN    LYS+  33 - HB3   GLU-  29   5.95 +/- 0.61   3.341% *  0.0989% (0.09   0.02   0.02) =   0.004%
          HN    CYS   21 - HB3   GLU-  29  10.46 +/- 0.59   0.109% *  0.3431% (0.30   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  15.55 +/- 0.71   0.009% *  1.1076% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.69 +/- 0.82   0.054% *  0.1594% (0.14   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  21.95 +/- 0.61   0.001% *  0.7424% (0.65   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  23.99 +/- 1.81   0.001% *  0.9955% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  19.72 +/- 0.73   0.002% *  0.2300% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  26.83 +/- 1.38   0.000% *  0.3084% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.31, residual support = 86.8:
      O   HN    GLU-  36 - QB    GLU-  36   2.11 +/- 0.08  99.823% * 99.6455% (0.69  10.0   7.31  86.76) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.15 +/- 0.29   0.163% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29   9.92 +/- 0.70   0.010% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  13.90 +/- 1.37   0.002% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.29 +/- 0.80   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.78 +/- 1.74   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.20 +/- 0.44   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  19.01 +/- 0.72   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  16.13 +/- 0.88   0.001% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.39 +/- 0.71   0.000% *  0.0112% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.85, residual support = 86.8:
          HN    GLU-  36 - HG2   GLU-  36   3.47 +/- 0.53  99.983% * 98.4011% (0.28   4.85  86.76) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  15.81 +/- 1.72   0.015% *  0.6545% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  20.84 +/- 1.27   0.002% *  0.9444% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 4.85, residual support = 86.8:
          HN    GLU-  36 - HG3   GLU-  36   4.05 +/- 0.08  97.357% * 98.8124% (0.69   4.85  86.76) =  99.996%  kept
          HN    THR   39 - HG3   GLU-  36   7.89 +/- 1.08   2.499% *  0.1650% (0.28   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HG3   GLU-  36  16.74 +/- 1.68   0.023% *  0.5147% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  15.42 +/- 2.59   0.067% *  0.0508% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  15.81 +/- 2.23   0.042% *  0.0206% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  22.51 +/- 0.83   0.003% *  0.1831% (0.31   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  21.63 +/- 0.78   0.004% *  0.1480% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  25.18 +/- 2.54   0.002% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.25 +/- 1.98   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  29.17 +/- 2.47   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.06, residual support = 86.8:
      O   HN    GLU-  36 - HA    GLU-  36   2.83 +/- 0.03  99.992% * 99.6076% (0.28  10.0   6.06  86.76) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  14.45 +/- 1.51   0.007% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  20.03 +/- 0.51   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.42, residual support = 26.6:
      O   HN    SER   37 - HB2   SER   37   3.31 +/- 0.33  99.993% * 99.7690% (0.98  10.0   3.42  26.64) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  17.37 +/- 1.06   0.005% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  22.61 +/- 2.38   0.001% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  24.59 +/- 0.56   0.001% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.535, support = 0.02, residual support = 0.02:
          HN    GLN   30 - HB3   SER   37  11.30 +/- 0.64  41.632% * 12.9780% (0.47   0.02   0.02) =  44.871%  kept
          HN    GLU-  29 - HB3   SER   37  13.38 +/- 0.69  14.983% * 22.4691% (0.82   0.02   0.02) =  27.959%  kept
          HN    VAL   18 - QB    SER   13  12.57 +/- 0.55  22.249% *  4.8772% (0.18   0.02   0.02) =   9.012%  kept
          HN    GLN   30 - QB    SER   13  15.31 +/- 1.87   8.600% *  9.9312% (0.36   0.02   0.02) =   7.093%  kept
          HN    GLU-  29 - QB    SER   13  16.98 +/- 2.02   4.466% * 17.1942% (0.63   0.02   0.02) =   6.377%  kept
          HN    VAL   18 - HB3   SER   37  15.37 +/- 1.26   7.396% *  6.3735% (0.23   0.02   0.02) =   3.915%  kept
          HN    ASP-  86 - HB3   SER   37  23.88 +/- 0.78   0.476% * 14.8290% (0.54   0.02   0.02) =   0.586%  kept
          HN    ASP-  86 - QB    SER   13  27.78 +/- 1.55   0.198% * 11.3477% (0.41   0.02   0.02) =   0.186%
    Distance limit 3.78 A violated in 20 structures by 5.96 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.62, residual support = 217.5:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.00  97.130% * 99.8691% (0.92  10.0   6.62 217.50) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.03 +/- 0.01   2.618% *  0.0270% (0.25   1.0   0.02  13.51) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   6.71 +/- 0.99   0.192% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.83 +/- 0.21   0.007% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   8.27 +/- 0.98   0.047% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  11.38 +/- 0.75   0.006% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.74 +/- 0.92   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.63 +/- 1.12   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.79 +/- 1.15   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.64 +/- 1.05   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.25, residual support = 22.5:
      O   HN    THR   39 - HA    LYS+  38   3.10 +/- 0.02  89.553% * 99.6467% (0.92  10.0   6.25  22.48) =  99.996%  kept
          HN    GLU-  36 - HA    LYS+  38   5.36 +/- 0.04   3.398% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   5.13 +/- 0.58   5.358% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    LYS+  38   9.50 +/- 1.33   0.151% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   6.87 +/- 1.10   1.302% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   8.71 +/- 0.94   0.227% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  19.91 +/- 0.59   0.001% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  17.33 +/- 0.30   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  17.58 +/- 0.52   0.003% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.58 +/- 0.72   0.003% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 0.02, residual support = 13.5:
          HN    SER   37 - HB2   LYS+  38   4.75 +/- 0.03  99.974% * 32.1378% (1.00   0.02  13.51) =  99.985%  kept
          HN    ILE  119 - HB2   LYS+  38  23.51 +/- 2.72   0.008% * 25.7912% (0.80   0.02   0.02) =   0.006%
          HN    CYS   21 - HB2   LYS+  38  20.96 +/- 0.60   0.014% * 10.9869% (0.34   0.02   0.02) =   0.005%
          HN    ILE   89 - HB2   LYS+  38  25.44 +/- 0.47   0.004% * 31.0842% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.68 A violated in 20 structures by 1.07 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.451, support = 5.27, residual support = 22.3:
          HN    THR   39 - HB2   LYS+  38   4.13 +/- 0.02  94.702% * 88.6723% (0.45   5.31  22.48) =  99.383%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.72 +/- 0.07   5.076% * 10.2339% (0.87   0.32   0.63) =   0.615%  kept
          HN    LYS+ 102 - HB2   LYS+  38  11.72 +/- 1.17   0.218% *  0.7308% (0.98   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   LYS+  38  22.74 +/- 0.56   0.003% *  0.3629% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.80 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.789, support = 5.81, residual support = 211.7:
          HN    LYS+  38 - HG2   LYS+  38   3.19 +/- 0.07  91.549% * 74.9110% (0.80   5.85 217.50) =  97.177%  kept
          HN    SER   37 - HG2   LYS+  38   4.78 +/- 0.04   8.047% * 24.7574% (0.38   4.13  13.51) =   2.823%  kept
          HN    LYS+  38 - HG2   LYS+  99   8.50 +/- 0.77   0.300% *  0.0697% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.08 +/- 0.75   0.101% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  24.48 +/- 0.74   0.000% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  20.57 +/- 0.57   0.001% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.99 +/- 1.08   0.000% *  0.1090% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  28.08 +/- 1.12   0.000% *  0.0297% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.781, support = 5.5, residual support = 208.0:
          HN    LYS+  38 - HG3   LYS+  38   4.00 +/- 0.04  87.943% * 71.7386% (0.80   5.54 217.50) =  95.360%  kept
          HN    SER   37 - HG3   LYS+  38   5.68 +/- 0.12  10.955% * 28.0204% (0.38   4.62  13.51) =   4.640%  kept
          HN    LYS+  38 - HG3   LYS+  99   9.30 +/- 1.17   0.803% *  0.0270% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  10.86 +/- 1.21   0.291% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  24.60 +/- 1.00   0.002% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  20.65 +/- 0.57   0.005% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  33.08 +/- 1.49   0.000% *  0.1103% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.98 +/- 1.34   0.001% *  0.0115% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.63, residual support = 37.3:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.02  95.756% * 95.2892% (0.97  10.0   3.64  37.34) =  99.814%  kept
          HN    LYS+ 102 - HA    ILE  103   4.89 +/- 0.18   3.957% *  4.2868% (0.24   1.0   3.62  22.39) =   0.186%
          HN    GLU-  36 - HA    THR   39   8.05 +/- 0.15   0.197% *  0.0886% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.43 +/- 1.26   0.054% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.49 +/- 0.65   0.015% *  0.0320% (0.32   1.0   0.02   0.57) =   0.000%
          HN    THR   39 - HA    ILE  103  13.20 +/- 0.32   0.010% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.57 +/- 0.55   0.004% *  0.0293% (0.30   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  19.86 +/- 0.50   0.001% *  0.0968% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.60 +/- 0.60   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.66 +/- 0.60   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  16.29 +/- 0.48   0.003% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.29 +/- 0.35   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.03, residual support = 23.7:
      O   HN    LEU   40 - HA    THR   39   2.31 +/- 0.02  99.697% * 99.8247% (0.57  10.0   4.03  23.65) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.28 +/- 0.13   0.250% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   8.81 +/- 1.02   0.042% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.70 +/- 0.58   0.011% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.61, residual support = 37.3:
      O   HN    THR   39 - HB    THR   39   2.66 +/- 0.15  99.556% * 99.6727% (0.97  10.0   3.61  37.34) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   6.73 +/- 0.26   0.421% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.70 +/- 1.27   0.018% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  15.27 +/- 1.12   0.004% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  18.74 +/- 0.84   0.001% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  24.51 +/- 0.80   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.92, residual support = 23.7:
          HN    LEU   40 - HB    THR   39   3.76 +/- 0.19  99.592% * 99.9090% (0.98   3.92  23.65) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   9.79 +/- 0.97   0.408% *  0.0910% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.221, residual support = 0.221:
          HN    LEU   71 - QG2   THR   39   3.00 +/- 0.43  99.834% * 54.8930% (0.60   0.22   0.22) =  99.992%  kept
          HN    GLU- 114 - QB    ALA   91  10.72 +/- 1.00   0.067% *  3.3426% (0.40   0.02   0.02) =   0.004%
          HN    GLN  116 - QB    ALA   91  12.73 +/- 1.22   0.026% *  2.8484% (0.34   0.02   0.02) =   0.001%
          HN    THR  118 - QB    ALA   91  12.83 +/- 0.91   0.022% *  1.9307% (0.23   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ALA   91  13.20 +/- 0.97   0.023% *  1.1632% (0.14   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   39  16.45 +/- 1.59   0.005% *  4.0885% (0.49   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   THR   39  15.14 +/- 1.17   0.007% *  2.4633% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - QG2   THR   23  16.28 +/- 0.96   0.006% *  2.7836% (0.33   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   39  18.48 +/- 0.99   0.002% *  6.0320% (0.72   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   39  20.16 +/- 0.98   0.001% *  7.0786% (0.85   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ALA   91  18.97 +/- 0.53   0.002% *  2.3425% (0.28   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   THR   23  18.76 +/- 0.90   0.002% *  1.3823% (0.17   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  24.87 +/- 1.15   0.000% *  3.9721% (0.48   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  24.52 +/- 1.43   0.000% *  3.3848% (0.41   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  23.85 +/- 1.00   0.001% *  2.2943% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.03 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.68, residual support = 23.7:
          HN    LEU   40 - QG2   THR   39   2.54 +/- 0.54  99.998% * 99.4418% (0.66   3.68  23.65) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  19.02 +/- 0.89   0.001% *  0.3031% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  20.62 +/- 0.54   0.001% *  0.2551% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.602, support = 3.09, residual support = 13.4:
      O   HN    ALA   91 - QB    ALA   91   2.32 +/- 0.14  83.034% * 89.0270% (0.61  10.0   3.08  12.93) =  97.919%  kept
          HN    THR   39 - QG2   THR   39   3.35 +/- 0.53  15.577% * 10.0830% (0.38   1.0   3.63  37.34) =   2.080%  kept
          HN    TRP   27 - QG2   THR   23   5.21 +/- 0.68   1.165% *  0.0142% (0.10   1.0   0.02   1.99) =   0.000%
          HN    GLU-  36 - QG2   THR   39   6.90 +/- 0.94   0.164% *  0.0260% (0.18   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   91   9.22 +/- 0.39   0.023% *  0.1122% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.12 +/- 1.26   0.015% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.78 +/- 0.36   0.005% *  0.0366% (0.25   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  13.52 +/- 0.93   0.002% *  0.0640% (0.44   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  15.05 +/- 0.95   0.001% *  0.0772% (0.53   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  17.17 +/- 0.59   0.001% *  0.1355% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  12.03 +/- 0.69   0.005% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.71 +/- 0.99   0.002% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.15 +/- 0.80   0.001% *  0.0530% (0.36   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  14.67 +/- 0.87   0.001% *  0.0173% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  18.46 +/- 0.75   0.000% *  0.0327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.85 +/- 0.47   0.000% *  0.1175% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  20.58 +/- 0.56   0.000% *  0.0420% (0.29   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  14.41 +/- 0.95   0.002% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  16.67 +/- 0.88   0.001% *  0.0094% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  18.24 +/- 0.85   0.000% *  0.0124% (0.08   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.37 +/- 0.80   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.96 +/- 0.53   0.000% *  0.0551% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  18.61 +/- 1.28   0.000% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  20.62 +/- 1.46   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 8.94:
          HN    MET   92 - QB    ALA   91   3.10 +/- 0.25  99.388% * 96.4882% (0.87   3.03   8.94) =  99.998%  kept
          HN    THR   46 - QB    ALA   91   9.51 +/- 0.69   0.129% *  0.7197% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QB    ALA   91  10.71 +/- 0.90   0.075% *  0.2504% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.25 +/- 0.75   0.056% *  0.3007% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   8.76 +/- 0.88   0.245% *  0.0670% (0.09   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  10.71 +/- 0.60   0.068% *  0.0757% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  15.07 +/- 0.47   0.008% *  0.6369% (0.87   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  15.68 +/- 2.17   0.015% *  0.1824% (0.25   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.51 +/- 0.61   0.005% *  0.3398% (0.46   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  21.14 +/- 0.60   0.001% *  0.3007% (0.41   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  16.86 +/- 0.71   0.004% *  0.0670% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  21.59 +/- 1.68   0.001% *  0.1183% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  22.40 +/- 3.25   0.002% *  0.0406% (0.06   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  34.29 +/- 2.12   0.000% *  0.3863% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  24.76 +/- 1.23   0.000% *  0.0263% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.662, support = 5.07, residual support = 77.6:
          HA    LEU   40 - QD2   LEU   40   2.63 +/- 0.65  58.125% * 63.0205% (0.61   6.07 103.90) =  71.241%  kept
          HA    LYS+  99 - QD2   LEU   40   2.86 +/- 0.63  41.756% * 35.4126% (0.80   2.58  12.59) =  28.759%  kept
          HA    ASN   35 - QD2   LEU   40   8.52 +/- 0.68   0.059% *  0.3159% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  11.49 +/- 3.93   0.038% *  0.3392% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  12.05 +/- 1.06   0.012% *  0.1407% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  16.29 +/- 2.09   0.003% *  0.3237% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  15.40 +/- 1.14   0.003% *  0.1534% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  16.12 +/- 1.88   0.002% *  0.1407% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.42 +/- 1.04   0.002% *  0.1534% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.984, support = 4.46, residual support = 103.0:
          HA    LEU   40 - QD1   LEU   40   3.68 +/- 0.47  74.239% * 94.8111% (0.99   4.50 103.90) =  98.988%  kept
          HA    LYS+  99 - QD1   LEU   40   4.58 +/- 0.78  24.220% *  2.9566% (0.31   0.45  12.59) =   1.007%  kept
          HA    LEU  123 - QD1   LEU   40  10.20 +/- 3.87   0.779% *  0.2578% (0.61   0.02   0.02) =   0.003%
          HA    GLU-  15 - QD1   LEU   40  10.92 +/- 0.89   0.133% *  0.3813% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40   9.49 +/- 0.57   0.265% *  0.1906% (0.45   0.02   0.02) =   0.001%
          HA    SER   37 - QD1   LEU   40  10.75 +/- 0.44   0.150% *  0.1312% (0.31   0.02   0.02) =   0.000%
          HA    GLN   17 - QD1   LEU   40  11.26 +/- 0.86   0.117% *  0.1312% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  14.04 +/- 1.07   0.034% *  0.3924% (0.92   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  15.27 +/- 1.60   0.021% *  0.3813% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  15.35 +/- 1.84   0.021% *  0.2069% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.71 +/- 0.43   0.021% *  0.1595% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.68, support = 0.0199, residual support = 0.0199:
        T HB3   HIS  122 - QD1   LEU   40   7.02 +/- 4.36  70.834% * 81.4215% (0.69 10.00   0.02   0.02) =  98.363%  kept
          QE    LYS+ 121 - QD1   LEU   40   9.51 +/- 3.06  17.489% *  4.0433% (0.34  1.00   0.02   0.02) =   1.206%  kept
          QE    LYS+  74 - QD1   LEU   40  10.10 +/- 1.02  11.075% *  2.0759% (0.18  1.00   0.02   0.02) =   0.392%
          HB3   ASP-  78 - QD1   LEU   40  20.00 +/- 0.72   0.137% * 10.6304% (0.90  1.00   0.02   0.02) =   0.025%
          QB    CYSS  50 - QD1   LEU   40  16.38 +/- 0.74   0.465% *  1.8289% (0.15  1.00   0.02   0.02) =   0.014%
    Distance limit 3.69 A violated in 15 structures by 2.75 A, eliminated.
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.901, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QD1   LEU   40   9.57 +/- 1.87  54.202% * 23.0961% (0.84   0.02   0.02) =  50.412%  kept
          HE21  GLN   30 - QD1   LEU   40  10.20 +/- 1.22  37.810% * 27.6510% (1.00   0.02   0.02) =  42.102%  kept
          HD1   TRP   27 - QD1   LEU   40  13.66 +/- 1.58   7.527% * 23.0961% (0.84   0.02   0.02) =   7.001%  kept
          HH2   TRP   49 - QD1   LEU   40  21.35 +/- 1.25   0.460% * 26.1568% (0.95   0.02   0.02) =   0.485%
    Distance limit 3.72 A violated in 20 structures by 4.64 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.914, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40  10.33 +/- 0.93  42.999% * 27.6510% (1.00   0.02   0.02) =  47.424%  kept
          QD    PHE   59 - QD2   LEU   40  10.45 +/- 1.97  44.296% * 23.0961% (0.84   0.02   0.02) =  40.807%  kept
          HD1   TRP   27 - QD2   LEU   40  12.94 +/- 0.93  12.167% * 23.0961% (0.84   0.02   0.02) =  11.209%  kept
          HH2   TRP   49 - QD2   LEU   40  21.55 +/- 1.72   0.538% * 26.1568% (0.95   0.02   0.02) =   0.561%  kept
    Distance limit 3.53 A violated in 20 structures by 5.29 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.56, residual support = 19.8:
          HN    VAL   41 - QD2   LEU   40   2.48 +/- 0.55 100.000% *100.0000% (0.73   4.56  19.75) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.65, residual support = 9.92:
          HN    LEU   98 - QD2   LEU   40   2.68 +/- 0.72 100.000% *100.0000% (0.97   4.65   9.92) = 100.000%  kept
    Distance limit 3.49 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.9, residual support = 103.9:
      O   HN    LEU   40 - HB3   LEU   40   2.45 +/- 0.34  99.503% * 99.9683% (0.98  10.0   4.90 103.90) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.26 +/- 1.47   0.496% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  19.38 +/- 1.33   0.001% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  21.29 +/- 1.90   0.000% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.72, residual support = 103.9:
      O   HN    LEU   40 - HB2   LEU   40   2.57 +/- 0.42  99.938% * 99.9908% (0.76  10.0   4.72 103.90) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.93 +/- 1.47   0.062% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 36.6:
          QG2   VAL   70 - HB2   LEU   40   3.64 +/- 0.46  77.392% * 99.9538% (0.80   3.99  36.65) =  99.986%  kept
          QG2   VAL   70 - HB2   LEU   67   5.41 +/- 1.55  22.608% *  0.0462% (0.07   0.02   0.02) =   0.014%
    Distance limit 3.48 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 36.6:
        T QG2   VAL   70 - HB3   LEU   40   2.58 +/- 0.87  99.971% * 99.8828% (0.98 10.00   3.99  36.65) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.56 +/- 1.13   0.029% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.208, support = 5.05, residual support = 98.9:
      O T HA    LEU   40 - HG    LEU   40   3.31 +/- 0.40  59.049% * 68.1518% (0.18  10.0 10.00   5.30 103.90) =  94.590%  kept
          HA    LYS+  99 - HG    LEU   40   4.47 +/- 0.70  12.998% * 11.3862% (0.98   1.0  1.00   0.60  12.59) =   3.479%  kept
          HA    ASP- 113 - HG    LEU  115   6.51 +/- 1.39   4.875% * 11.0031% (0.53   1.0  1.00   1.06   0.02) =   1.261%  kept
          HA    PHE   59 - HG    LEU  115   5.20 +/- 1.69  18.552% *  1.4794% (0.20   1.0  1.00   0.38  28.77) =   0.645%  kept
          HA    ILE   56 - HG    LEU  115   6.13 +/- 1.61   4.155% *  0.1954% (0.50   1.0  1.00   0.02   0.02) =   0.019%
        T HA    ASN   35 - HG    LEU   40  10.39 +/- 0.55   0.069% *  3.4900% (0.90   1.0 10.00   0.02   0.02) =   0.006%
          HA    LEU  123 - HG    LEU   40  13.13 +/- 4.76   0.048% *  0.2974% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  12.73 +/- 1.46   0.026% *  0.1722% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU   73  11.13 +/- 0.94   0.049% *  0.0711% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  11.51 +/- 0.48   0.040% *  0.0651% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  14.88 +/- 1.92   0.011% *  0.1327% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.72 +/- 0.96   0.112% *  0.0127% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  19.14 +/- 1.32   0.002% *  0.3946% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  19.60 +/- 2.36   0.002% *  0.3376% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  25.86 +/- 1.27   0.000% *  2.0206% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.01 +/- 1.26   0.002% *  0.3592% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  19.58 +/- 1.25   0.002% *  0.2208% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  19.29 +/- 1.85   0.002% *  0.0629% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  16.59 +/- 1.62   0.005% *  0.0247% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  20.06 +/- 2.40   0.002% *  0.0554% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  23.64 +/- 2.26   0.001% *  0.0670% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.3, residual support = 36.6:
        T QG2   VAL   70 - HG    LEU   40   2.89 +/- 0.75  97.448% * 99.2404% (0.98 10.00   6.30  36.65) =  99.995%  kept
        T QG2   VAL   70 - HG    LEU   73   6.86 +/- 1.02   2.515% *  0.1850% (0.18 10.00   0.02   0.02) =   0.005%
        T QG2   VAL   70 - HG    LEU  115  12.65 +/- 1.13   0.038% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 36.6:
          QG2   VAL   70 - QD1   LEU   40   1.78 +/- 0.20 100.000% *100.0000% (0.80   3.47  36.65) = 100.000%  kept
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.48, residual support = 36.6:
          QG2   VAL   70 - QD2   LEU   40   3.14 +/- 0.63 100.000% *100.0000% (0.53   4.48  36.65) = 100.000%  kept
    Distance limit 3.15 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2559 (0.66, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - QD2   LEU   40  10.04 +/- 0.88 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.55 A violated in 20 structures by 7.48 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.706, support = 4.5, residual support = 103.9:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  81.546% * 41.4375% (0.65  10.0 10.00   4.14 103.90) =  76.314%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.85 +/- 0.40  18.256% * 57.4464% (0.90  10.0  1.00   5.67 103.90) =  23.685%  kept
        T HG    LEU   73 - QD2   LEU   40   8.13 +/- 1.49   0.052% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU   40   8.37 +/- 2.01   0.091% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.48 +/- 1.13   0.001% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   7.93 +/- 1.04   0.043% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.82 +/- 2.06   0.006% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  12.64 +/- 1.16   0.002% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  13.15 +/- 1.44   0.002% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.24, support = 2.13, residual support = 12.6:
        T HB3   LYS+  99 - QD2   LEU   40   2.76 +/- 0.62  73.384% * 44.0318% (0.22 10.00   1.98  12.59) =  68.910%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.51 +/- 0.95  26.182% * 55.6789% (0.28 10.00   2.47  12.59) =  31.090%  kept
          HB    VAL   43 - QD2   LEU   40   7.64 +/- 0.84   0.409% *  0.0752% (0.38  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QD2   LEU   40  13.95 +/- 1.08   0.008% *  0.1215% (0.61  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  12.80 +/- 1.57   0.015% *  0.0309% (0.15  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  18.99 +/- 0.95   0.001% *  0.0618% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.303, support = 0.02, residual support = 0.02:
          HB2   HIS  122 - QD2   LEU   40   7.86 +/- 4.35  74.160% * 19.5836% (0.31   0.02   0.02) =  80.339%  kept
          HA    LEU   63 - QD2   LEU   40   9.20 +/- 0.94  23.009% * 11.1120% (0.18   0.02   0.02) =  14.143%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.72 +/- 1.16   2.059% * 35.9222% (0.57   0.02   0.02) =   4.092%  kept
          HB2   HIS   22 - QD2   LEU   40  17.95 +/- 1.25   0.772% * 33.3822% (0.53   0.02   0.02) =   1.425%  kept
    Distance limit 3.49 A violated in 20 structures by 3.18 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.95, residual support = 12.6:
          QE    LYS+  99 - QD2   LEU   40   3.09 +/- 0.76  99.439% * 98.6025% (0.69   3.95  12.59) =  99.996%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.59 +/- 0.56   0.371% *  0.7267% (1.00   0.02   0.02) =   0.003%
          QE    LYS+  38 - QD2   LEU   40   9.68 +/- 1.02   0.190% *  0.6708% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.836, support = 1.21, residual support = 1.89:
        T HB3   PHE   97 - QD2   LEU   40   3.11 +/- 1.22  92.730% * 91.0589% (0.84 10.00   1.21   1.90) =  99.286%  kept
          HB2   GLU- 100 - QD2   LEU   40   6.98 +/- 0.83   7.122% *  8.5266% (0.99  1.00   0.96   0.02) =   0.714%  kept
          QG    GLN   32 - QD2   LEU   40  11.36 +/- 0.61   0.108% *  0.0612% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  15.08 +/- 1.06   0.018% *  0.1698% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  15.69 +/- 1.46   0.014% *  0.0674% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  16.74 +/- 1.26   0.008% *  0.1161% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 103.9:
      O T HB2   LEU   40 - QD1   LEU   40   2.79 +/- 0.37  98.306% * 99.2435% (0.84  10.0 10.00   4.44 103.90) =  99.993%  kept
        T HB2   LEU   67 - QD1   LEU   40   7.19 +/- 1.73   1.459% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.007%
          HB3   MET   96 - QD1   LEU   40   8.78 +/- 0.73   0.174% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  11.00 +/- 1.00   0.049% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.10 +/- 1.35   0.012% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  19.79 +/- 1.24   0.001% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 103.9:
      O   HB2   LEU   40 - QD2   LEU   40   2.58 +/- 0.47  99.810% * 96.6350% (0.34  10.0  1.00   5.44 103.90) =  99.996%  kept
        T HB2   LEU   67 - QD2   LEU   40   8.84 +/- 1.83   0.153% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   18 - QD2   LEU   40  12.19 +/- 1.40   0.028% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  14.04 +/- 1.12   0.006% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  17.34 +/- 1.48   0.002% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.57 +/- 1.48   0.001% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.77, support = 4.48, residual support = 103.9:
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.02  58.178% * 41.4524% (0.65  10.0  1.00   4.30 103.90) =  50.619%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.26 +/- 0.25  40.933% * 57.4671% (0.90  10.0 10.00   4.65 103.90) =  49.373%  kept
        T HG    LEU   67 - QD1   LEU   40   6.82 +/- 2.07   0.841% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   LEU  115 - QD1   LEU   40  12.50 +/- 1.22   0.002% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40  10.10 +/- 1.93   0.007% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   8.14 +/- 1.12   0.024% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40   9.58 +/- 1.36   0.013% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  12.68 +/- 1.18   0.001% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  12.07 +/- 0.77   0.002% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.94, support = 4.43, residual support = 100.9:
      O T QD1   LEU   40 - HB2   LEU   40   2.79 +/- 0.37  53.408% * 92.1745% (1.00  10.0 10.00   4.44 103.90) =  93.471%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.87 +/- 0.40  45.111% *  7.6201% (0.08  10.0  1.00   4.26  57.71) =   6.527%  kept
          QD2   LEU   67 - HB2   LEU   40   7.46 +/- 1.74   0.752% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   40 - HB2   LEU   67   7.19 +/- 1.73   0.726% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   40  16.82 +/- 0.65   0.001% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  18.00 +/- 1.84   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.65, residual support = 103.9:
      O T QD1   LEU   40 - HB3   LEU   40   2.26 +/- 0.25  99.490% * 99.7412% (1.00  10.0 10.00   4.65 103.90) = 100.000%  kept
          QD2   LEU   67 - HB3   LEU   40   6.77 +/- 1.67   0.462% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  12.50 +/- 1.22   0.004% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.93 +/- 1.05   0.038% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  13.77 +/- 2.49   0.004% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.62 +/- 0.58   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.863, support = 4.13, residual support = 103.3:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  67.591% * 94.9355% (0.87  10.0 10.00   4.14 103.90) =  99.364%  kept
          QD1   ILE  119 - HG    LEU  115   3.23 +/- 1.34  31.104% *  1.2990% (0.10   1.0  1.00   2.34  10.32) =   0.626%  kept
        T QD1   LEU   67 - HG    LEU   40   7.17 +/- 2.46   0.677% *  0.9142% (0.84   1.0 10.00   0.02   0.02) =   0.010%
        T QD2   LEU   40 - HG    LEU   73   8.13 +/- 1.49   0.042% *  0.1770% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   8.81 +/- 1.50   0.025% *  0.1704% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  12.18 +/- 2.24   0.003% *  0.5293% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   5.63 +/- 0.86   0.443% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.52 +/- 0.88   0.018% *  0.0795% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   7.60 +/- 0.91   0.049% *  0.0192% (0.18   1.0  1.00   0.02   1.50) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.48 +/- 1.13   0.001% *  0.5496% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.81 +/- 0.47   0.028% *  0.0177% (0.16   1.0  1.00   0.02   0.13) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  15.90 +/- 1.91   0.001% *  0.3843% (0.35   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.29 +/- 1.10   0.000% *  0.6638% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.34 +/- 0.54   0.009% *  0.0124% (0.11   1.0  1.00   0.02  40.88) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.95 +/- 2.26   0.003% *  0.0192% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  15.10 +/- 1.22   0.001% *  0.0949% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.34 +/- 0.84   0.001% *  0.0460% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.21 +/- 0.96   0.002% *  0.0148% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  16.94 +/- 2.15   0.000% *  0.0550% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  14.28 +/- 1.46   0.001% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.35 +/- 0.97   0.000% *  0.0111% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.865, support = 3.79, residual support = 73.6:
      O T QG2   VAL   41 - QG1   VAL   41   2.06 +/- 0.04  87.386% * 95.2877% (0.87  10.0 10.00   3.80  73.83) =  99.706%  kept
          QD2   LEU   98 - QG1   VAL   41   3.30 +/- 0.64  10.706% *  2.2492% (0.69   1.0  1.00   0.60  28.82) =   0.288%
        T QD1   LEU   73 - QG1   VAL   41   4.51 +/- 0.65   1.201% *  0.3391% (0.31   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   63 - QG2   VAL   18   6.78 +/- 1.12   0.177% *  0.2591% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QG2   VAL   18   6.97 +/- 0.76   0.071% *  0.2591% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   7.18 +/- 1.43   0.120% *  0.0753% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   9.34 +/- 0.71   0.011% *  0.7282% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.26 +/- 0.80   0.148% *  0.0405% (0.04   1.0 10.00   0.02   5.96) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.54 +/- 1.17   0.094% *  0.0512% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.56 +/- 0.80   0.010% *  0.3391% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   8.93 +/- 0.95   0.016% *  0.0985% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  10.06 +/- 1.28   0.009% *  0.0577% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.83 +/- 0.83   0.005% *  0.0577% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  11.55 +/- 0.83   0.003% *  0.0755% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.40 +/- 1.05   0.011% *  0.0182% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104   9.85 +/- 0.98   0.009% *  0.0182% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   8.69 +/- 1.22   0.022% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  16.03 +/- 1.07   0.000% *  0.0405% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.45, residual support = 9.44:
          QB    ALA   34 - QG2   VAL   41   2.75 +/- 0.56  99.252% * 83.6657% (0.18   1.45   9.44) =  99.983%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.61 +/- 0.70   0.500% *  1.3051% (0.20   0.02   0.02) =   0.008%
          HG2   LYS+  38 - QG2   VAL   41   9.05 +/- 0.70   0.135% *  1.8337% (0.28   0.02   0.02) =   0.003%
          QG2   THR   77 - QG2   VAL   41  11.22 +/- 0.58   0.038% *  6.2386% (0.95   0.02   0.02) =   0.003%
          QB    ALA   88 - QG2   VAL   41  11.26 +/- 0.63   0.042% *  4.0001% (0.61   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   VAL   41  11.59 +/- 0.78   0.033% *  2.9568% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.339, support = 2.74, residual support = 28.7:
        T QB    LEU   98 - QG2   VAL   41   3.47 +/- 0.79  68.877% * 94.8986% (0.34 10.00   2.76  28.82) =  99.522%  kept
          HG    LEU   73 - QG2   VAL   41   4.45 +/- 0.99  29.697% *  1.0425% (0.31  1.00   0.24   0.02) =   0.471%
          HG12  ILE   19 - QG2   VAL   41   8.27 +/- 1.21   0.773% *  0.2776% (1.00  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   80 - QG2   VAL   41  11.47 +/- 0.72   0.057% *  2.2277% (0.80 10.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - QG2   VAL   41  10.66 +/- 1.47   0.130% *  0.1911% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  10.89 +/- 1.02   0.092% *  0.2685% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   41  10.48 +/- 0.72   0.110% *  0.1687% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   9.48 +/- 1.15   0.151% *  0.0619% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  13.17 +/- 0.66   0.028% *  0.2324% (0.84  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.02 +/- 1.16   0.037% *  0.1354% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  14.62 +/- 2.74   0.016% *  0.1800% (0.65  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  15.04 +/- 0.83   0.010% *  0.2727% (0.98  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  14.21 +/- 1.89   0.022% *  0.0429% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 5 structures by 0.53 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.31 +/- 0.63 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.95 A violated in 20 structures by 8.36 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.51, residual support = 73.8:
      O   HN    VAL   41 - HB    VAL   41   2.80 +/- 0.36 100.000% *100.0000% (0.47  10.0   4.51  73.83) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.978, support = 2.79, residual support = 28.7:
          HN    LEU   98 - QG1   VAL   41   4.14 +/- 0.54  75.876% * 98.6549% (0.98   2.80  28.82) =  99.741%  kept
          HN    LEU   98 - QD2   LEU  104   5.49 +/- 1.02  23.990% *  0.8064% (0.05   0.43   5.96) =   0.258%
          HN    LEU   98 - QG2   VAL   18  12.20 +/- 0.65   0.133% *  0.5387% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 6 structures by 0.51 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.54, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  13.08 +/- 1.51  37.337% * 34.1212% (0.66   0.02   0.02) =  54.706%  kept
          QE    PHE   59 - HB    VAL   41  13.25 +/- 3.27  44.101% * 12.0603% (0.23   0.02   0.02) =  22.839%  kept
          HN    LYS+  66 - HB    VAL   41  15.63 +/- 0.68  13.751% * 29.5320% (0.57   0.02   0.02) =  17.438%  kept
          HN    LYS+  81 - HB    VAL   41  18.78 +/- 0.79   4.811% * 24.2865% (0.47   0.02   0.02) =   5.017%  kept
    Distance limit 3.61 A violated in 20 structures by 7.30 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.04, residual support = 22.1:
      O   HN    VAL   42 - HA    VAL   41   2.21 +/- 0.03  99.783% * 99.8070% (0.98  10.0   5.04  22.12) = 100.000%  kept
          HN    LEU   73 - HA    VAL   41   6.31 +/- 0.35   0.198% *  0.0998% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HA    VAL   41   9.43 +/- 0.57   0.018% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.44 +/- 0.34   0.002% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.0, residual support = 38.9:
      O   HN    VAL   43 - HA    VAL   42   2.20 +/- 0.02 100.000% * 99.9765% (0.90  10.0   5.00  38.90) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  19.03 +/- 1.30   0.000% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2581 (0.28, 0.55, 21.65 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2582 (0.09, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 0.343, support = 0.0199, residual support = 0.0199:
          QD2   LEU   31 - QG2   VAL   41   2.32 +/- 0.69  99.620% * 16.0745% (0.34   0.02   0.02) =  99.022%  kept
          QD1   ILE   89 - QG2   VAL   41   8.09 +/- 0.60   0.177% * 46.1912% (0.98   0.02   0.02) =   0.506%  kept
          QG2   VAL   83 - QG2   VAL   41   7.88 +/- 0.61   0.202% * 37.7342% (0.80   0.02   0.02) =   0.472%
    Distance limit 2.93 A violated in 0 structures by 0.08 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.728, support = 3.59, residual support = 17.8:
        T HB    VAL   41 - HB    VAL   42   6.03 +/- 0.27  11.434% * 93.0100% (0.84 10.00   4.19  22.12) =  73.652%  kept
          HB2   LEU   71 - HB    VAL   42   4.25 +/- 0.25  84.424% *  4.5019% (0.42  1.00   1.92   5.64) =  26.322%  kept
          QB    LYS+  66 - HB    VAL   42   9.26 +/- 0.91   1.012% *  0.0962% (0.87  1.00   0.02   0.02) =   0.007%
        T QB    LYS+ 102 - HB    VAL   42  12.34 +/- 0.85   0.152% *  0.6235% (0.56 10.00   0.02   0.02) =   0.007%
          HG2   PRO   93 - HB2   LYS+ 112   9.54 +/- 2.02   1.574% *  0.0590% (0.53  1.00   0.02   0.02) =   0.006%
          HG12  ILE  103 - HB    VAL   42  10.91 +/- 0.97   0.348% *  0.0836% (0.75  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB2   LYS+ 112  11.11 +/- 1.40   0.376% *  0.0413% (0.37  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   42  11.30 +/- 0.42   0.262% *  0.0507% (0.46  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LYS+ 112  15.08 +/- 2.22   0.166% *  0.0679% (0.61  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HB    VAL   42  14.91 +/- 0.71   0.048% *  0.0836% (0.75  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   LYS+ 112  14.26 +/- 1.56   0.079% *  0.0413% (0.37  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB    VAL   42  15.80 +/- 2.53   0.045% *  0.0585% (0.53  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LYS+ 112  23.42 +/- 1.90   0.004% *  0.6564% (0.59 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   LYS+ 112  15.35 +/- 1.79   0.056% *  0.0358% (0.32  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.66 +/- 1.37   0.004% *  0.4400% (0.40 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB    VAL   42  20.42 +/- 0.78   0.007% *  0.0585% (0.53  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LYS+ 112  21.83 +/- 1.80   0.006% *  0.0590% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   LYS+ 112  24.13 +/- 2.38   0.003% *  0.0331% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 12 structures by 0.94 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.08, residual support = 83.1:
          HN    VAL   42 - QG2   VAL   42   3.23 +/- 0.23  83.537% * 76.8906% (0.64   5.28  87.61) =  94.782%  kept
          HN    LEU   73 - QG2   VAL   42   4.76 +/- 0.99  15.535% * 22.7542% (0.64   1.56   1.80) =   5.216%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.45 +/- 0.79   0.410% *  0.2915% (0.64   0.02   0.02) =   0.002%
          HN    ILE   19 - QG2   VAL   42   7.58 +/- 0.74   0.518% *  0.0638% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.11, residual support = 38.9:
          HN    VAL   43 - QG2   VAL   42   3.62 +/- 0.29 100.000% *100.0000% (0.72   5.11  38.90) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 3.99, residual support = 87.1:
      O T HA    VAL   42 - QG1   VAL   42   2.64 +/- 0.24  88.777% * 91.4876% (0.97  10.0 10.00   4.00  87.61) =  99.289%  kept
          HA    THR   46 - QB    ALA   47   3.82 +/- 0.09  10.639% *  5.4600% (0.44   1.0  1.00   2.63  12.67) =   0.710%  kept
        T HA    GLN   17 - QG1   VAL   42   8.71 +/- 0.84   0.094% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   47  10.29 +/- 0.71   0.033% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   47   7.56 +/- 1.24   0.333% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.65 +/- 0.30   0.003% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.87 +/- 0.47   0.039% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  14.92 +/- 1.27   0.003% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   9.84 +/- 1.90   0.054% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  17.07 +/- 0.88   0.001% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.30 +/- 0.46   0.006% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  12.13 +/- 1.43   0.012% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  14.19 +/- 0.87   0.005% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.71 +/- 0.54   0.000% *  0.0479% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.809, support = 0.0199, residual support = 0.544:
          QD    PHE   60 - QG1   VAL   42   5.34 +/- 1.28  51.365% * 18.3095% (0.93   0.02   0.79) =  67.995%  kept
          QE    PHE   59 - QG1   VAL   42   6.50 +/- 2.65  32.812% *  6.4716% (0.33   0.02   0.02) =  15.352%  kept
          HN    LYS+  66 - QG1   VAL   42   7.85 +/- 0.64   7.039% * 15.8469% (0.81   0.02   0.02) =   8.064%  kept
          QD    PHE   60 - QB    ALA   47   8.86 +/- 1.06   5.589% * 15.8117% (0.80   0.02   0.02) =   6.389%  kept
          HN    LYS+  81 - QB    ALA   47   9.46 +/- 0.96   1.977% * 11.2543% (0.57   0.02   0.02) =   1.608%  kept
          QE    PHE   59 - QB    ALA   47  11.41 +/- 1.70   1.040% *  5.5887% (0.28   0.02   0.02) =   0.420%
          HN    LYS+  81 - QG1   VAL   42  15.15 +/- 0.56   0.122% * 13.0321% (0.66   0.02   0.02) =   0.115%
          HN    LYS+  66 - QB    ALA   47  17.64 +/- 0.96   0.057% * 13.6851% (0.70   0.02   0.02) =   0.057%
    Distance limit 2.96 A violated in 15 structures by 1.52 A, eliminated.
    Peak unassigned.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 3.78, residual support = 56.4:
          HN    VAL   42 - QG1   VAL   42   3.49 +/- 0.18  23.422% * 83.9130% (0.77   5.39  87.61) =  63.671%  kept
          HN    LEU   73 - QG1   VAL   42   2.83 +/- 0.74  75.554% * 14.8412% (0.77   0.95   1.80) =  36.326%  kept
          HN    ILE   19 - QG1   VAL   42   6.05 +/- 0.93   0.859% *  0.0681% (0.17   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QG1   VAL   42   9.01 +/- 0.66   0.142% *  0.3116% (0.77   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  12.98 +/- 0.33   0.011% *  0.2691% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.33 +/- 0.56   0.004% *  0.2691% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.78 +/- 0.31   0.003% *  0.2691% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.22 +/- 0.76   0.006% *  0.0588% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.11, residual support = 38.9:
          HN    VAL   43 - QG1   VAL   42   2.98 +/- 0.26  99.956% * 99.3914% (0.40   5.11  38.90) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  13.07 +/- 0.30   0.016% *  0.3362% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  13.35 +/- 0.85   0.015% *  0.1262% (0.13   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  13.60 +/- 0.82   0.012% *  0.1461% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.432, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.20 +/- 0.66  99.002% * 53.6601% (0.43   0.02   0.02) =  99.137%  kept
          HN    LEU  104 - QB    ALA   47  17.93 +/- 0.50   0.998% * 46.3399% (0.37   0.02   0.02) =   0.863%  kept
    Distance limit 3.69 A violated in 20 structures by 4.49 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.76, residual support = 16.1:
          HN    TRP   49 - QB    ALA   47   2.75 +/- 0.18  99.646% * 95.0979% (0.29   3.76  16.05) =  99.997%  kept
          HE22  GLN   30 - QG1   VAL   42   7.63 +/- 0.77   0.283% *  0.9107% (0.53   0.02   0.02) =   0.003%
          HD22  ASN   69 - QG1   VAL   42   9.74 +/- 0.68   0.063% *  1.0476% (0.61   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    ALA   47  16.05 +/- 1.76   0.004% *  1.1890% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.84 +/- 0.63   0.003% *  0.3871% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.99 +/- 0.63   0.000% *  1.3677% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.389, support = 2.36, residual support = 11.0:
      O   HN    ALA   47 - QB    ALA   47   2.45 +/- 0.14  95.867% * 99.5113% (0.39  10.0   2.36  10.99) =  99.992%  kept
          QD    PHE   95 - QG1   VAL   42   4.58 +/- 0.73   4.074% *  0.1789% (0.70   1.0   0.02   1.44) =   0.008%
          QD    PHE   95 - QB    ALA   47   8.77 +/- 0.65   0.051% *  0.2336% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.78 +/- 0.49   0.008% *  0.0762% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.612, support = 3.81, residual support = 32.0:
          HB    VAL   42 - QG1   VAL   43   5.08 +/- 0.14   7.496% * 66.1232% (0.62  1.00   4.73  38.90) =  76.637%  kept
        T HB3   LEU   73 - QG1   VAL   43   4.47 +/- 1.08  33.538% *  3.1091% (0.69 10.00   0.02   8.77) =  16.122%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.95 +/- 0.19   1.137% * 27.7689% (0.34  1.00   3.64  15.22) =   4.883%  kept
          HG    LEU   98 - QG1   VAL   43   3.95 +/- 1.01  56.080% *  0.2632% (0.58  1.00   0.02   0.02) =   2.282%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.86 +/- 0.50   0.569% *  0.3848% (0.85  1.00   0.02   0.02) =   0.034%
          QB    ALA   84 - QG1   VAL   43   8.21 +/- 0.44   0.442% *  0.3109% (0.69  1.00   0.02   0.02) =   0.021%
          HG3   LYS+  33 - QG1   VAL   43   9.99 +/- 0.80   0.148% *  0.2468% (0.54  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - QG1   VAL   43  10.71 +/- 0.71   0.084% *  0.3258% (0.72  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QG1   VAL   43   8.85 +/- 0.59   0.297% *  0.0805% (0.18  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - QG1   VAL   43  11.06 +/- 0.50   0.070% *  0.3258% (0.72  1.00   0.02   0.02) =   0.004%
          HB2   LEU   63 - QG1   VAL   43  10.32 +/- 0.75   0.104% *  0.1131% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   43  15.23 +/- 0.97   0.010% *  0.2795% (0.62  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.55 +/- 1.56   0.006% *  0.3529% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG1   VAL   43  15.75 +/- 1.70   0.009% *  0.2140% (0.47  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.12 +/- 1.69   0.009% *  0.1014% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.284, support = 1.66, residual support = 7.96:
        T HH2   TRP   27 - QG1   VAL   43   2.09 +/- 0.45  74.993% * 48.0244% (0.31 10.00   1.35   7.96) =  73.481%  kept
        T HZ3   TRP   27 - QG1   VAL   43   2.69 +/- 0.70  25.007% * 51.9756% (0.22 10.00   2.51   7.96) =  26.519%  kept
    Distance limit 2.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.17, residual support = 60.4:
          HN    VAL   43 - QG1   VAL   43   2.19 +/- 0.24 100.000% *100.0000% (0.80   5.17  60.40) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.385, support = 3.66, residual support = 15.3:
          HN    ASP-  44 - QG2   VAL   43   3.01 +/- 0.32  88.222% * 83.7743% (0.39   3.71  15.22) =  98.131%  kept
          HN    ASN   28 - QD2   LEU   31   4.94 +/- 0.75   9.680% * 14.4682% (0.18   1.37  17.03) =   1.860%  kept
          HN    ASN   28 - QG2   VAL   43   7.18 +/- 0.64   0.627% *  0.7369% (0.63   0.02   0.02) =   0.006%
          HN    ASP-  44 - QD2   LEU   31   6.49 +/- 0.57   1.152% *  0.1297% (0.11   0.02   0.02) =   0.002%
          HN    GLU-  25 - QG2   VAL   43   9.65 +/- 0.69   0.095% *  0.4200% (0.36   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   8.77 +/- 0.70   0.186% *  0.1205% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.61 +/- 0.64   0.012% *  0.2723% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  12.16 +/- 1.21   0.026% *  0.0781% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.22, residual support = 60.4:
      O   HN    VAL   43 - HB    VAL   43   2.87 +/- 0.24 100.000% *100.0000% (0.87  10.0   4.22  60.40) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 16.4:
          HN    MET   96 - HB    VAL   43   3.09 +/- 0.56 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.41, residual support = 19.1:
        T QD    PHE   45 - HB3   ASP-  44   4.48 +/- 0.06 100.000% *100.0000% (0.80 10.00   4.41  19.15) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.73 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.71, residual support = 37.8:
      O   HN    ASP-  44 - HB3   ASP-  44   3.57 +/- 0.19  99.956% * 99.8560% (0.98  10.0   3.71  37.77) = 100.000%  kept
          HN    ASN   28 - HB3   ASP-  44  13.82 +/- 0.82   0.031% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   ASP-  44  15.94 +/- 0.92   0.013% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.14, residual support = 6.13:
          HA    LYS+  74 - HB2   ASP-  44   3.08 +/- 0.36  99.912% * 92.4893% (0.92  1.00   2.14   6.13) =  99.993%  kept
        T HA    MET   92 - HB2   ASP-  44  10.18 +/- 0.47   0.088% *  7.5107% (0.80 10.00   0.02   0.02) =   0.007%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.03, residual support = 37.8:
      O   HN    ASP-  44 - HB2   ASP-  44   2.51 +/- 0.10  99.991% * 99.8560% (0.98  10.0   3.03  37.77) = 100.000%  kept
          HN    ASN   28 - HB2   ASP-  44  12.62 +/- 0.61   0.007% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   ASP-  44  14.96 +/- 0.70   0.002% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 3.9, residual support = 28.8:
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  18.907% * 81.9551% (0.80  10.0   3.77  37.77) =  51.601%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.29 +/- 0.01  81.083% * 17.9245% (0.18  10.0   4.04  19.15) =  48.399%  kept
          HN    ALA  110 - HA    ASP-  44  10.84 +/- 1.66   0.010% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  15.53 +/- 0.59   0.001% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2604 (5.97, 4.29, 51.33 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.63:
          HA    PHE   95 - HA    ASP-  44   2.66 +/- 0.43 100.000% *100.0000% (0.87   2.00   4.63) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.1:
        T HB    THR   94 - HB2   PHE   45   2.99 +/- 0.57  99.593% * 98.9931% (0.65 10.00   2.96  27.08) = 100.000%  kept
          QB    SER   85 - HB2   PHE   45  10.72 +/- 0.62   0.082% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   45  10.54 +/- 0.47   0.083% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45   9.93 +/- 0.85   0.122% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  10.53 +/- 0.57   0.080% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.44 +/- 0.47   0.019% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.37 +/- 1.25   0.003% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.04 +/- 0.86   0.010% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  19.29 +/- 0.95   0.002% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.93 +/- 0.88   0.001% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.42 +/- 0.73   0.002% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  19.53 +/- 0.62   0.002% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 8.45:
          QG2   THR   77 - HB2   PHE   45   3.55 +/- 0.57  96.211% * 94.3277% (0.45   1.83   8.45) =  99.960%  kept
          QG2   ILE   56 - HB2   PHE   45   8.31 +/- 2.52   3.225% *  1.0281% (0.45   0.02   0.02) =   0.037%
          QB    ALA   88 - HB2   PHE   45   9.18 +/- 0.48   0.466% *  0.3538% (0.15   0.02   0.02) =   0.002%
          QG2   THR   23 - HB2   PHE   45  12.85 +/- 0.61   0.062% *  2.1693% (0.95   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   PHE   45  14.04 +/- 0.30   0.035% *  1.4835% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   PHE   45  24.19 +/- 0.95   0.001% *  0.6376% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 2 structures by 0.17 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 12.1:
        T QG2   ILE   89 - HB2   PHE   45   3.04 +/- 0.49  99.859% * 99.8023% (1.00 10.00   0.75  12.06) = 100.000%  kept
          QG1   VAL   83 - HB2   PHE   45   9.78 +/- 0.79   0.129% *  0.1510% (0.57  1.00   0.02   1.15) =   0.000%
          QD1   LEU  104 - HB2   PHE   45  14.62 +/- 0.80   0.011% *  0.0467% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 8.45:
          QG2   THR   77 - HB3   PHE   45   2.40 +/- 0.51  99.634% * 96.7442% (0.87   2.25   8.45) =  99.999%  kept
          QB    ALA   88 - HB3   PHE   45   9.43 +/- 0.45   0.064% *  0.9826% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   PHE   45   6.99 +/- 0.97   0.295% *  0.1962% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB3   PHE   45  15.55 +/- 0.94   0.004% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  15.49 +/- 0.56   0.003% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.83 +/- 0.38   0.001% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.54 +/- 0.44   0.000% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 12.1:
        T QG2   ILE   89 - HB3   PHE   45   3.03 +/- 0.43 100.000% *100.0000% (0.69 10.00   0.75  12.06) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.22, residual support = 80.3:
      O   QD    PHE   45 - HB2   PHE   45   2.68 +/- 0.04  99.995% * 99.6976% (0.65  10.0   4.22  80.32) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.22 +/- 1.39   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  19.09 +/- 2.18   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  19.92 +/- 1.40   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.68, residual support = 80.3:
      O   HN    PHE   45 - HB2   PHE   45   2.43 +/- 0.09  99.597% * 99.8082% (0.73  10.0   3.68  80.32) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.24 +/- 0.22   0.356% *  0.0306% (0.22   1.0   0.02  19.15) =   0.000%
          HN    ALA  110 - HB2   PHE   45   9.50 +/- 1.84   0.045% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  15.20 +/- 0.69   0.002% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.93, residual support = 80.3:
      O   QD    PHE   45 - HB3   PHE   45   2.29 +/- 0.03  99.999% * 99.6976% (0.65  10.0   4.93  80.32) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.74 +/- 1.29   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.64 +/- 2.28   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  19.85 +/- 1.46   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 80.3:
      O   HN    PHE   45 - HB3   PHE   45   3.61 +/- 0.06  97.397% * 99.8082% (0.73  10.0   4.01  80.32) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.70 +/- 0.08   2.386% *  0.0306% (0.22   1.0   0.02  19.15) =   0.001%
          HN    ALA  110 - HB3   PHE   45  10.85 +/- 1.89   0.187% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  14.00 +/- 0.65   0.030% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.24, residual support = 3.98:
          HA    ASP-  76 - QG2   THR   46   2.64 +/- 0.62 100.000% *100.0000% (0.41   1.24   3.98) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.39, residual support = 34.5:
          HN    THR   46 - QG2   THR   46   2.39 +/- 0.23  99.633% * 97.6985% (0.76   3.39  34.51) =  99.997%  kept
          HN    LYS+  74 - QG2   THR   46   6.41 +/- 0.50   0.293% *  0.7550% (1.00   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   46   8.66 +/- 0.72   0.072% *  0.4274% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   46  14.68 +/- 1.38   0.003% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  25.66 +/- 1.98   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.7:
          HN    ALA   47 - QG2   THR   46   3.46 +/- 0.55  96.297% * 97.9533% (0.25   3.21  12.67) =  99.920%  kept
          QD    PHE   95 - QG2   THR   46   7.06 +/- 1.12   3.703% *  2.0467% (0.84   0.02   0.02) =   0.080%
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.299, support = 0.748, residual support = 0.473:
          QB    CYSS  50 - QG2   THR   46   4.57 +/- 0.93  30.693% * 74.6555% (0.31   0.99   0.68) =  68.752%  kept
          QE    LYS+  74 - QG2   THR   46   3.47 +/- 1.05  69.006% * 15.0741% (0.28   0.22   0.02) =  31.211%  kept
          HB2   PHE   72 - QG2   THR   46   9.81 +/- 0.90   0.215% *  4.8896% (1.00   0.02   0.02) =   0.032%
          HA    ALA   64 - QG2   THR   46  11.61 +/- 1.28   0.082% *  2.0146% (0.41   0.02   0.02) =   0.005%
          HB3   ASN   69 - QG2   THR   46  18.72 +/- 0.88   0.004% *  3.3662% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 1 structures by 0.15 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.67:
      O   HN    SER   48 - HA    SER   48   2.75 +/- 0.03  99.995% * 99.9333% (0.49  10.0   2.61   9.67) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.80 +/- 0.90   0.004% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.64 +/- 0.54   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.61, residual support = 9.67:
      O   HN    SER   48 - QB    SER   48   2.22 +/- 0.14  99.998% * 99.9496% (0.95  10.0   2.61   9.67) = 100.000%  kept
          HN    SER   48 - QB    SER   85  13.51 +/- 0.78   0.002% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  21.44 +/- 1.61   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.934, support = 4.0, residual support = 73.8:
      O   HN    TRP   49 - HB2   TRP   49   3.57 +/- 0.06  66.475% * 97.0525% (0.95  10.0   4.01  74.80) =  98.550%  kept
          HN    CYSS  50 - HB2   TRP   49   4.02 +/- 0.23  33.524% *  2.8324% (0.15   1.0   3.58   3.13) =   1.450%  kept
          HE22  GLN   30 - HB2   TRP   49  24.35 +/- 2.32   0.001% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  32.08 +/- 0.86   0.000% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.83, residual support = 74.8:
      O   HD1   TRP   49 - HB2   TRP   49   3.83 +/- 0.28  99.967% * 99.6923% (0.80  10.0   3.83  74.80) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  17.16 +/- 2.02   0.024% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  19.56 +/- 1.36   0.007% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  25.40 +/- 1.02   0.001% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  32.18 +/- 1.07   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 4.01, residual support = 74.8:
      O   HN    TRP   49 - HB3   TRP   49   2.63 +/- 0.28  92.544% * 99.8654% (0.79  10.0   4.01  74.80) =  99.999%  kept
          HN    CYSS  50 - HB3   TRP   49   4.04 +/- 0.25   7.456% *  0.0163% (0.13   1.0   0.02   3.13) =   0.001%
          HE22  GLN   30 - HB3   TRP   49  23.82 +/- 2.41   0.000% *  0.0975% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  32.33 +/- 0.85   0.000% *  0.0209% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 3.83, residual support = 74.8:
      O   HD1   TRP   49 - HB3   TRP   49   3.12 +/- 0.22  99.989% * 99.6923% (0.67  10.0   3.83  74.80) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  16.41 +/- 1.93   0.008% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  18.57 +/- 1.37   0.003% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  25.84 +/- 0.96   0.000% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  31.61 +/- 1.16   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 3.47:
          HB2   PRO   52 - HB3   TRP   49   9.76 +/- 0.39  98.582% * 45.9163% (0.72   0.02   3.50) =  99.149%  kept
          HB2   ASP-  62 - HB3   TRP   49  22.35 +/- 1.00   0.722% * 45.9163% (0.72   0.02   0.02) =   0.727%  kept
          HG2   MET   96 - HB3   TRP   49  22.41 +/- 0.69   0.696% *  8.1674% (0.13   0.02   0.02) =   0.124%
    Distance limit 3.79 A violated in 20 structures by 5.96 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.478, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  12.36 +/- 0.39  52.682% * 16.1708% (0.47   0.02   0.02) =  53.617%  kept
          QG    GLU-  79 - HB3   TRP   49  13.57 +/- 1.28  32.330% * 13.9029% (0.41   0.02   0.02) =  28.289%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.87 +/- 1.67   9.895% * 16.1708% (0.47   0.02   0.02) =  10.071%  kept
          HB    VAL  107 - HB3   TRP   49  18.77 +/- 0.72   4.320% * 27.0190% (0.79   0.02   0.02) =   7.346%  kept
          QG    GLN   32 - HB3   TRP   49  27.91 +/- 1.54   0.409% * 22.8711% (0.67   0.02   0.02) =   0.588%  kept
          HG2   GLU-  29 - HB3   TRP   49  28.37 +/- 1.37   0.363% *  3.8655% (0.11   0.02   0.02) =   0.088%
    Distance limit 3.84 A violated in 20 structures by 7.20 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.61, residual support = 7.17:
          QB    ALA   47 - QB    CYSS  50   3.62 +/- 0.22  99.757% * 98.8199% (0.65   3.61   7.17) =  99.999%  kept
          QB    ALA   64 - QB    CYSS  50  11.38 +/- 1.00   0.122% *  0.5470% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   42 - QB    CYSS  50  12.03 +/- 0.84   0.076% *  0.4449% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYSS  50  13.54 +/- 1.43   0.045% *  0.1883% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 8.2:
        T HB2   CYSS  53 - QB    CYSS  50   3.00 +/- 0.68  96.515% * 99.5977% (1.00 10.00   1.50   8.20) =  99.997%  kept
          HD3   PRO   52 - QB    CYSS  50   5.73 +/- 0.28   3.305% *  0.0966% (0.73  1.00   0.02   0.02) =   0.003%
          HD2   PRO   58 - QB    CYSS  50   9.61 +/- 1.06   0.169% *  0.0648% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYSS  50  17.02 +/- 0.81   0.005% *  0.0547% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYSS  50  19.74 +/- 1.18   0.002% *  0.1066% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYSS  50  17.65 +/- 0.89   0.004% *  0.0296% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYSS  50  25.70 +/- 1.04   0.000% *  0.0500% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.799, support = 1.23, residual support = 7.23:
      O   HN    CYSS  50 - QB    CYSS  50   2.80 +/- 0.16  93.395% * 85.8010% (0.80  10.0   1.21   7.28) =  98.853%  kept
          HN    TRP   49 - QB    CYSS  50   4.39 +/- 0.11   6.599% * 14.0946% (0.65   1.0   2.46   3.13) =   1.147%  kept
          HN    VAL   83 - QB    CYSS  50  15.75 +/- 0.83   0.003% *  0.0603% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYSS  50  17.48 +/- 2.02   0.002% *  0.0441% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.1:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.990% * 97.0144% (0.87  10.0 10.00   2.81  10.06) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.46 +/- 0.32   0.008% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  18.22 +/- 1.24   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  18.92 +/- 1.70   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  23.72 +/- 3.76   0.001% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  13.41 +/- 1.01   0.001% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  25.56 +/- 3.12   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.63 +/- 1.26   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  23.04 +/- 1.21   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  27.44 +/- 2.00   0.000% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 1.18, residual support = 7.64:
          HD3   PRO   93 - HB2   PRO   52   3.38 +/- 1.86  77.367% * 13.4106% (0.98   0.75   0.96) =  72.767%  kept
          QB    PHE   55 - HB2   PRO   52   4.20 +/- 0.23  19.784% * 10.0030% (0.92   0.59   0.13) =  13.880%  kept
          HB3   CYSS  53 - HB2   PRO   52   5.79 +/- 0.49   2.536% * 75.0409% (0.99   4.15  51.86) =  13.347%  kept
          HD2   ARG+  54 - HB2   PRO   52   9.12 +/- 0.74   0.164% *  0.3521% (0.97   0.02   1.73) =   0.004%
          HB2   PHE   59 - HB2   PRO   52  10.43 +/- 1.13   0.113% *  0.2506% (0.69   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG2   MET   96  15.12 +/- 0.49   0.008% *  0.1051% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  14.76 +/- 2.26   0.011% *  0.0736% (0.20   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HG2   MET   96  16.07 +/- 1.07   0.006% *  0.1062% (0.29   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  17.16 +/- 1.35   0.004% *  0.1034% (0.28   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.92 +/- 1.43   0.004% *  0.0989% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  23.17 +/- 1.89   0.001% *  0.3521% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  23.35 +/- 1.75   0.001% *  0.1034% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.414, support = 0.802, residual support = 1.85:
        T HD3   PRO   93 - HB3   PRO   52   4.42 +/- 1.26  56.652% * 67.3585% (0.41 10.00   0.75   0.96) =  93.416%  kept
          QB    PHE   55 - HB3   PRO   52   4.50 +/- 0.31  39.351% *  4.9268% (0.53  1.00   0.43   0.13) =   4.746%  kept
          HB3   CYSS  53 - HB3   PRO   52   6.93 +/- 0.50   3.059% * 24.3201% (0.25  1.00   4.46  51.86) =   1.821%  kept
        T HD2   ARG+  54 - HB3   PRO   52   9.00 +/- 0.91   0.699% *  0.8647% (0.20 10.00   0.02   1.73) =   0.015%
          HB2   PHE   59 - HB3   PRO   52  11.64 +/- 1.15   0.145% *  0.3499% (0.80  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB3   PRO   52  24.56 +/- 1.53   0.001% *  1.9588% (0.45 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  14.73 +/- 1.28   0.036% *  0.0206% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  20.09 +/- 1.20   0.005% *  0.0992% (0.02 10.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - QB    LYS+  81  14.83 +/- 1.16   0.033% *  0.0125% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  17.08 +/- 1.02   0.014% *  0.0264% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  20.37 +/- 1.34   0.005% *  0.0401% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  26.65 +/- 1.27   0.001% *  0.0225% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.308, support = 0.147, residual support = 0.0454:
          QB    ALA  110 - HB2   PRO   52   4.33 +/- 3.43  84.489% *  1.5615% (0.28   0.02   0.02) =  62.398%  kept
          HG2   LYS+ 102 - HG2   MET   96  10.63 +/- 1.42   1.094% * 45.7433% (0.29   0.56   0.13) =  23.676%  kept
          HB3   LEU  115 - HB2   PRO   52   9.69 +/- 1.17   2.447% *  4.6910% (0.84   0.02   0.02) =   5.430%  kept
          QB    ALA  120 - HB2   PRO   52  15.69 +/- 2.68   4.071% *  1.5615% (0.28   0.02   0.02) =   3.007%  kept
          HG    LEU  115 - HB2   PRO   52  10.92 +/- 1.65   2.594% *  1.5615% (0.28   0.02   0.02) =   1.916%  kept
          HG    LEU   40 - HG2   MET   96   9.67 +/- 1.08   2.213% *  1.3780% (0.25   0.02   0.02) =   1.443%  kept
          HG    LEU   73 - HG2   MET   96  10.48 +/- 1.12   1.256% *  1.5921% (0.28   0.02   0.02) =   0.946%  kept
          QB    ALA   61 - HB2   PRO   52  12.30 +/- 0.93   0.366% *  2.7337% (0.49   0.02   0.02) =   0.473%
          QG    LYS+  66 - HG2   MET   96  16.02 +/- 1.33   0.221% *  1.3780% (0.25   0.02   0.02) =   0.144%
          HB3   LEU  115 - HG2   MET   96  13.92 +/- 1.84   0.153% *  1.3780% (0.25   0.02   0.02) =   0.100%
          QG    LYS+  66 - HB2   PRO   52  18.47 +/- 1.65   0.036% *  4.6910% (0.84   0.02   0.02) =   0.079%
          HG    LEU  115 - HG2   MET   96  15.17 +/- 1.28   0.214% *  0.4587% (0.08   0.02   0.02) =   0.046%
          HG    LEU   73 - HB2   PRO   52  20.01 +/- 1.13   0.018% *  5.4199% (0.97   0.02   0.02) =   0.045%
          QB    ALA  110 - HG2   MET   96  13.37 +/- 1.00   0.191% *  0.4587% (0.08   0.02   0.02) =   0.041%
          HG    LEU   80 - HG2   MET   96  13.52 +/- 1.11   0.164% *  0.5092% (0.09   0.02   0.02) =   0.040%
          HB3   LEU   67 - HG2   MET   96  15.77 +/- 2.14   0.065% *  1.0672% (0.19   0.02   0.02) =   0.033%
          HG    LEU   80 - HB2   PRO   52  17.93 +/- 1.36   0.039% *  1.7334% (0.31   0.02   0.02) =   0.032%
          HG    LEU   67 - HG2   MET   96  15.78 +/- 2.39   0.056% *  1.1980% (0.21   0.02   0.02) =   0.032%
          QB    ALA  120 - HG2   MET   96  14.61 +/- 1.24   0.107% *  0.4587% (0.08   0.02   0.02) =   0.023%
          QB    ALA   61 - HG2   MET   96  15.78 +/- 0.61   0.053% *  0.8030% (0.14   0.02   0.02) =   0.020%
          HG12  ILE   19 - HG2   MET   96  15.49 +/- 1.52   0.114% *  0.3673% (0.07   0.02   0.02) =   0.020%
          HG    LEU   67 - HB2   PRO   52  21.87 +/- 1.76   0.009% *  4.0781% (0.73   0.02   0.02) =   0.017%
          HG    LEU   40 - HB2   PRO   52  22.41 +/- 1.16   0.007% *  4.6910% (0.84   0.02   0.02) =   0.015%
          HB3   LEU   67 - HB2   PRO   52  21.61 +/- 1.53   0.008% *  3.6331% (0.65   0.02   0.02) =   0.013%
          HG12  ILE   19 - HB2   PRO   52  21.98 +/- 1.36   0.014% *  1.2503% (0.22   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HB2   PRO   52  27.11 +/- 2.56   0.002% *  5.6037% (1.00   0.02   0.02) =   0.005%
    Distance limit 3.09 A violated in 6 structures by 0.71 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.661, support = 0.0199, residual support = 0.805:
          HB3   PRO   93 - HD2   PRO   52   6.62 +/- 0.90  87.613% *  5.3763% (0.65  1.00   0.02   0.96) =  83.420%  kept
          QB    ALA   84 - HD2   PRO   52  11.28 +/- 0.83   4.770% *  5.7087% (0.69  1.00   0.02   0.02) =   4.822%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.16 +/- 0.60   3.025% *  8.1462% (0.98  1.00   0.02   0.02) =   4.364%  kept
        T QB    ALA   88 - HD2   PRO   52  14.74 +/- 1.15   0.912% * 14.5547% (0.18 10.00   0.02   0.02) =   2.352%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.76 +/- 1.49   1.436% *  6.9417% (0.84  1.00   0.02   0.02) =   1.766%  kept
          HB2   LEU   63 - HD2   PRO   52  16.04 +/- 1.16   0.680% *  8.3107% (1.00  1.00   0.02   0.02) =   1.001%  kept
          HB3   LEU   80 - HD2   PRO   52  15.67 +/- 0.74   0.608% *  8.1462% (0.98  1.00   0.02   0.02) =   0.878%  kept
          QB    ALA  124 - HD2   PRO   52  23.91 +/- 3.29   0.649% *  7.4533% (0.90  1.00   0.02   0.02) =   0.857%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.10 +/- 1.01   0.169% * 12.8231% (0.15 10.00   0.02   0.02) =   0.383%
          HG    LEU   98 - HD2   PRO   52  21.94 +/- 1.13   0.077% *  6.6547% (0.80  1.00   0.02   0.02) =   0.091%
          HB2   LEU   31 - HD2   PRO   52  25.01 +/- 0.67   0.036% *  7.4533% (0.90  1.00   0.02   0.02) =   0.048%
          HG2   LYS+  99 - HD2   PRO   52  28.37 +/- 0.61   0.017% *  4.7052% (0.57  1.00   0.02   0.02) =   0.014%
          HG2   LYS+  38 - HD2   PRO   52  33.07 +/- 0.46   0.007% *  3.7260% (0.45  1.00   0.02   0.02) =   0.005%
    Distance limit 3.54 A violated in 20 structures by 2.92 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.45, residual support = 222.0:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.993% * 97.1447% (0.80  10.0 10.00   7.45 222.00) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   9.06 +/- 0.56   0.006% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  20.34 +/- 1.39   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.74 +/- 2.59   0.001% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  17.51 +/- 1.73   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  16.49 +/- 1.45   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.51 +/- 1.29   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.09 +/- 0.59   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  22.73 +/- 1.21   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  30.24 +/- 0.71   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  28.35 +/- 0.80   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  31.06 +/- 0.94   0.000% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  27.07 +/- 1.59   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.45, residual support = 222.0:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  98.696% * 98.5557% (0.87  10.0 10.00   7.45 222.00) =  99.999%  kept
          HB2   CYSS  53 - HD2   PRO   52   3.68 +/- 0.37   1.303% *  0.0426% (0.38   1.0  1.00   0.02  51.86) =   0.001%
        T HB3   SER   82 - HD2   PRO   52  19.86 +/- 0.94   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HD2   PRO   52  13.05 +/- 1.27   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.17 +/- 1.16   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  24.53 +/- 0.81   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.21 +/- 0.95   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  29.22 +/- 1.12   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.18 +/- 0.83   0.000% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 14.3:
      O   HA1   GLY   51 - HD3   PRO   52   2.39 +/- 0.12  99.963% * 97.0168% (0.76  10.0  1.00   3.95  14.28) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  10.32 +/- 1.14   0.021% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  11.16 +/- 0.67   0.011% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.21 +/- 0.62   0.003% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  24.14 +/- 0.86   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  16.37 +/- 0.98   0.001% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  17.33 +/- 1.57   0.001% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  29.92 +/- 0.67   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.44 +/- 1.41   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  39.46 +/- 2.61   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  36.63 +/- 1.74   0.000% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.23, residual support = 14.3:
      O   HA1   GLY   51 - HD2   PRO   52   3.22 +/- 0.12  99.776% * 92.3448% (0.34  10.0  1.00   5.23  14.28) =  99.999%  kept
          HB    THR   77 - HD2   PRO   52   9.55 +/- 0.96   0.179% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   85 - HD2   PRO   52  16.84 +/- 1.24   0.006% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  12.72 +/- 0.49   0.028% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.03 +/- 0.66   0.001% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  15.46 +/- 0.85   0.009% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  28.42 +/- 0.57   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.75 +/- 1.07   0.002% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.80 +/- 1.42   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.40 +/- 0.75   0.001% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  37.84 +/- 2.52   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  35.00 +/- 1.62   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 222.0:
      O   HG2   PRO   52 - HD3   PRO   52   2.82 +/- 0.22  99.779% * 99.6603% (0.90  10.0   6.60 222.00) = 100.000%  kept
          HG2   MET   92 - HD3   PRO   52   8.68 +/- 1.27   0.200% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD3   PRO   52  13.34 +/- 1.20   0.013% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  15.98 +/- 1.00   0.003% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.90 +/- 0.84   0.004% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  27.75 +/- 1.03   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  34.80 +/- 1.02   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.59, residual support = 222.0:
      O   HG3   PRO   52 - HD3   PRO   52   2.39 +/- 0.22  99.962% * 99.3977% (0.97  10.0  1.00   6.59 222.00) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   9.24 +/- 0.96   0.035% *  0.2038% (0.20   1.0 10.00   0.02   0.96) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  14.09 +/- 0.95   0.003% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  21.54 +/- 1.44   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  30.25 +/- 1.91   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  28.87 +/- 1.08   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  26.89 +/- 0.70   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  40.45 +/- 2.12   0.000% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.7, residual support = 222.0:
      O   HB3   PRO   52 - HD3   PRO   52   3.59 +/- 0.18  97.873% * 98.5682% (0.57  10.0   6.70 222.00) =  99.997%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.50 +/- 0.50   1.375% *  0.1647% (0.95   1.0   0.02   1.73) =   0.002%
          HG    LEU  123 - HD3   PRO   52  23.39 +/- 4.30   0.299% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   PRO   52   9.91 +/- 1.35   0.326% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   PRO   52  12.86 +/- 2.18   0.072% *  0.1331% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  14.26 +/- 1.39   0.032% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  15.61 +/- 1.10   0.016% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  20.98 +/- 1.13   0.003% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  24.50 +/- 1.12   0.001% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  25.95 +/- 0.99   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  27.67 +/- 1.65   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.49 +/- 1.10   0.001% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.05 +/- 0.58   0.001% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  33.69 +/- 0.55   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.1, residual support = 51.9:
          HN    CYSS  53 - HD3   PRO   52   3.66 +/- 0.01  99.981% * 99.3021% (0.61   6.10  51.86) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  15.80 +/- 1.03   0.017% *  0.2015% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  23.97 +/- 0.92   0.001% *  0.3472% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  28.16 +/- 0.76   0.000% *  0.1492% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2643 (9.58, 3.84, 51.93 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.69, residual support = 14.3:
          HN    GLY   51 - HD3   PRO   52   2.68 +/- 0.25  99.997% * 99.4928% (0.92   3.69  14.28) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  15.47 +/- 1.03   0.003% *  0.5072% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 1.74, residual support = 1.7:
          HN    ARG+  54 - HD2   PRO   52   4.28 +/- 0.15  86.681% * 83.2168% (0.61   1.77   1.73) =  97.636%  kept
          HN    PHE   55 - HD2   PRO   52   5.89 +/- 0.30  13.256% * 13.1708% (0.73   0.23   0.13) =   2.363%  kept
          HN    ASP-  62 - HD2   PRO   52  15.56 +/- 0.90   0.040% *  1.4278% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  17.70 +/- 1.18   0.019% *  0.3857% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  23.94 +/- 0.56   0.003% *  1.4927% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  30.95 +/- 0.54   0.001% *  0.3061% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.59 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 51.9:
          HN    CYSS  53 - HD2   PRO   52   2.26 +/- 0.01  99.998% * 99.4799% (0.61   8.20  51.86) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  14.71 +/- 0.93   0.001% *  0.1501% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  22.61 +/- 0.81   0.000% *  0.2588% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  26.63 +/- 0.65   0.000% *  0.1112% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
          QB    CYSS  50 - HB3   CYSS  53   4.00 +/- 0.61  95.939% * 96.8478% (0.92   1.50   8.20) =  99.944%  kept
          QE    LYS+  74 - HB3   CYSS  53   7.67 +/- 0.97   3.781% *  1.3233% (0.95   0.02   0.02) =   0.054%
          HB3   ASP-  78 - HB3   CYSS  53  12.04 +/- 1.21   0.219% *  0.7920% (0.57   0.02   0.02) =   0.002%
          HB2   PHE   72 - HB3   CYSS  53  14.55 +/- 0.92   0.058% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYSS  53  24.03 +/- 0.59   0.003% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
        T QB    CYSS  50 - HB2   CYSS  53   3.00 +/- 0.68  99.463% * 99.6254% (0.92 10.00   1.50   8.20) =  99.999%  kept
          QE    LYS+  74 - HB2   CYSS  53   8.59 +/- 0.93   0.454% *  0.1291% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYSS  53  11.36 +/- 1.33   0.074% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYSS  53  15.90 +/- 0.86   0.008% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYSS  53  25.57 +/- 0.77   0.000% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYSS  53   3.26 +/- 1.26  97.764% * 41.1882% (0.95 10.00   0.02   0.02) =  99.811%  kept
          QB    ALA   91 - HA    CYSS  53   8.98 +/- 1.19   1.498% *  3.9049% (0.90  1.00   0.02   0.02) =   0.145%
          HG2   LYS+  74 - HA    CYSS  53  10.67 +/- 0.91   0.660% *  1.4852% (0.34  1.00   0.02   0.02) =   0.024%
        T HG13  ILE   19 - HA    CYSS  53  19.07 +/- 1.22   0.022% * 24.6510% (0.57 10.00   0.02   0.02) =   0.013%
        T HG    LEU   71 - HA    CYSS  53  21.39 +/- 1.17   0.009% * 13.4389% (0.31 10.00   0.02   0.02) =   0.003%
          QG2   THR   23 - HA    CYSS  53  17.83 +/- 0.80   0.023% *  1.9521% (0.45  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    CYSS  53  19.51 +/- 0.67   0.011% *  3.9049% (0.90  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    CYSS  53  19.16 +/- 0.52   0.011% *  3.4865% (0.80  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    CYSS  53  24.82 +/- 0.98   0.002% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYSS  53  30.09 +/- 1.13   0.001% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 5 structures by 0.53 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.77, residual support = 43.1:
      O   HN    CYSS  53 - HA    CYSS  53   2.74 +/- 0.04  99.996% * 99.7861% (0.61  10.0   4.77  43.08) = 100.000%  kept
          HN    LEU   80 - HA    CYSS  53  15.74 +/- 0.88   0.003% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYSS  53  22.20 +/- 0.69   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYSS  53  24.07 +/- 0.69   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 43.1:
      O   HN    CYSS  53 - HB2   CYSS  53   2.16 +/- 0.29  99.998% * 99.7861% (0.61  10.0   4.92  43.08) = 100.000%  kept
          HN    LEU   80 - HB2   CYSS  53  14.06 +/- 1.08   0.002% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYSS  53  20.92 +/- 0.95   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYSS  53  24.14 +/- 0.74   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.961, support = 5.51, residual support = 31.1:
          HN    ARG+  54 - HB2   CYSS  53   3.45 +/- 0.24  92.387% * 94.1999% (0.97   5.53  31.26) =  99.572%  kept
          HN    PHE   55 - HB2   CYSS  53   5.25 +/- 0.18   7.560% *  4.9503% (0.31   0.91   0.02) =   0.428%
          HN    ASP-  62 - HB2   CYSS  53  12.45 +/- 1.04   0.051% *  0.3337% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYSS  53  21.79 +/- 0.83   0.002% *  0.3164% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYSS  53  28.39 +/- 0.63   0.000% *  0.1997% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 31.3:
          HN    ARG+  54 - HB3   CYSS  53   4.30 +/- 0.12  99.542% * 99.1730% (0.87   5.36  31.26) =  99.999%  kept
          HN    ASP-  62 - HB3   CYSS  53  11.01 +/- 1.18   0.448% *  0.2243% (0.53   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   CYSS  53  20.80 +/- 0.87   0.008% *  0.1912% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYSS  53  27.04 +/- 0.58   0.002% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.82, residual support = 168.9:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.88 +/- 0.16  95.262% * 99.8484% (0.87  10.0 10.00   4.82 168.92) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   6.02 +/- 1.45   4.735% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  17.48 +/- 2.29   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  23.78 +/- 3.37   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.95 +/- 2.96   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.61, residual support = 168.9:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.914% * 99.6886% (0.87  10.0 10.00   3.61 168.92) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.77 +/- 1.15   0.072% *  0.0559% (0.49   1.0  1.00   0.02   3.80) =   0.000%
          HB3   CYSS  53 - HD3   ARG+  54   8.55 +/- 0.72   0.009% *  0.0920% (0.80   1.0  1.00   0.02  31.26) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  10.79 +/- 1.52   0.003% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.48 +/- 1.99   0.002% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  23.91 +/- 2.44   0.000% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 168.9:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.61 168.92) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  22.01 +/- 3.21   0.000% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 168.9:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.66 +/- 0.28  94.683% * 99.8484% (0.87  10.0 10.00   3.74 168.92) =  99.999%  kept
          QB    ALA   57 - HD3   ARG+  54   6.11 +/- 1.56   5.315% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD3   ARG+  54  17.91 +/- 2.74   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  23.93 +/- 3.04   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.69 +/- 3.31   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 168.9:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.51 +/- 0.26  99.918% * 97.6350% (0.49  10.0 10.00   3.89 168.92) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54   9.83 +/- 0.74   0.034% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  11.20 +/- 2.18   0.037% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  13.06 +/- 1.27   0.009% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  18.98 +/- 1.82   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  25.77 +/- 2.61   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  20.31 +/- 1.42   0.001% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  20.04 +/- 1.55   0.001% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.42 +/- 3.40   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  22.66 +/- 2.31   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.75 +/- 3.37   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.21 +/- 2.11   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  34.57 +/- 3.14   0.000% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 168.9:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.33 +/- 0.40  99.888% * 99.0727% (0.73  10.0   4.04 168.92) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  12.46 +/- 1.38   0.062% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  17.95 +/- 1.93   0.007% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  20.61 +/- 4.04   0.017% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  24.46 +/- 3.83   0.004% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  18.95 +/- 2.19   0.005% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.46 +/- 2.27   0.011% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.26 +/- 3.47   0.003% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  24.26 +/- 3.68   0.002% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  26.15 +/- 2.97   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  34.42 +/- 2.85   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  29.23 +/- 3.39   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 168.9:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.950% * 97.1361% (0.92  10.0 10.00   4.97 168.92) = 100.000%  kept
          HB3   PRO   52 - HG3   ARG+  54   7.75 +/- 1.52   0.038% *  0.0208% (0.20   1.0  1.00   0.02   1.73) =   0.000%
          HB    ILE   56 - HG3   ARG+  54   8.81 +/- 1.22   0.010% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  11.23 +/- 1.50   0.002% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  21.64 +/- 2.78   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  26.01 +/- 2.46   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  17.78 +/- 1.58   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  25.53 +/- 1.66   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  18.51 +/- 1.67   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  18.51 +/- 1.43   0.000% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  21.68 +/- 1.88   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  24.36 +/- 2.50   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.91 +/- 1.51   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  33.78 +/- 2.19   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.13, residual support = 168.9:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.68 +/- 0.19  99.984% * 97.7423% (0.31  10.0   5.13 168.92) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.41 +/- 2.30   0.004% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  20.39 +/- 3.04   0.002% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.42 +/- 1.79   0.002% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.42 +/- 1.61   0.003% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.45 +/- 2.25   0.002% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  23.52 +/- 2.87   0.001% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  21.15 +/- 2.90   0.002% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  24.28 +/- 2.53   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  23.94 +/- 2.67   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  25.98 +/- 1.97   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  27.98 +/- 2.81   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  33.43 +/- 1.96   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 168.9:
      O   HA    ARG+  54 - HG3   ARG+  54   3.27 +/- 0.61  99.965% * 99.5710% (1.00  10.0   5.75 168.92) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.08 +/- 1.50   0.022% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  19.22 +/- 1.67   0.004% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.19 +/- 1.65   0.007% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  27.62 +/- 3.16   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.55 +/- 2.32   0.001% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  29.11 +/- 2.36   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  31.09 +/- 2.18   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  35.28 +/- 2.47   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 168.9:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.66 +/- 0.28  99.999% * 99.9462% (0.76  10.0 10.00   3.74 168.92) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  20.52 +/- 3.29   0.001% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.863, support = 4.81, residual support = 167.0:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.88 +/- 0.16  89.533% * 90.0588% (0.87  10.0 10.00   4.82 168.92) =  98.842%  kept
          QB    PHE   55 - HG3   ARG+  54   5.65 +/- 1.45   9.727% *  9.7104% (0.49   1.0  1.00   3.84   3.80) =   1.158%  kept
          HB3   CYSS  53 - HG3   ARG+  54   6.93 +/- 0.56   0.544% *  0.0831% (0.80   1.0  1.00   0.02  31.26) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54   9.06 +/- 1.76   0.163% *  0.0630% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.80 +/- 1.46   0.032% *  0.0259% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.65 +/- 1.53   0.000% *  0.0588% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.61, residual support = 168.9:
          HN    ARG+  54 - HG3   ARG+  54   3.35 +/- 0.53  99.966% * 99.3280% (0.87   6.61 168.92) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.86 +/- 1.09   0.034% *  0.1823% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  26.57 +/- 2.40   0.001% *  0.1553% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  32.65 +/- 2.32   0.000% *  0.3344% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 168.9:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  99.726% * 98.1061% (0.87  10.0 10.00   4.97 168.92) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   5.28 +/- 1.11   0.269% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  12.02 +/- 4.95   0.004% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  14.40 +/- 1.78   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.82 +/- 2.41   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  23.06 +/- 2.82   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.54 +/- 2.44   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  25.53 +/- 1.66   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  25.32 +/- 3.91   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.33 +/- 0.98   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.139, support = 2.83, residual support = 35.9:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  88.944% * 33.8555% (0.12  10.0  1.00   2.36  35.93) =  81.217%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.57 +/- 0.29  11.041% * 63.0750% (0.22  10.0  1.00   4.90  35.93) =  18.783%  kept
          QB    GLU-  15 - HG3   PRO   68   9.46 +/- 1.82   0.012% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.27 +/- 2.05   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  13.65 +/- 1.75   0.001% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.18 +/- 1.51   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  19.75 +/- 3.10   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  20.64 +/- 3.01   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  23.83 +/- 2.56   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  13.61 +/- 2.99   0.001% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  16.87 +/- 2.00   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.27 +/- 1.14   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  23.36 +/- 2.76   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  23.07 +/- 2.93   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.38 +/- 2.36   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.39 +/- 1.18   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  22.74 +/- 3.58   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  25.25 +/- 2.05   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  16.95 +/- 1.46   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  16.60 +/- 1.14   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  27.79 +/- 2.75   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  25.12 +/- 1.69   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.44 +/- 1.22   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.92 +/- 1.99   0.000% *  0.0706% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2670 (3.35, 1.86, 27.63 ppm):
    12 chemical-shift based assignments, quality = 0.65, support = 4.73, residual support = 127.5:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.83 +/- 0.17  27.505% * 77.9856% (0.87  10.0 10.00   4.79 168.92) =  69.112%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.42 +/- 0.24  68.203% * 13.5823% (0.15  10.0  1.00   4.63  35.93) =  29.848%  kept
          QB    PHE   55 - HG2   ARG+  54   5.65 +/- 1.38   4.049% *  7.9727% (0.49   1.0  1.00   3.64   3.80) =   1.040%  kept
          HB3   CYSS  53 - HG2   ARG+  54   6.64 +/- 0.69   0.188% *  0.0720% (0.80   1.0  1.00   0.02  31.26) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.08 +/- 1.39   0.038% *  0.0545% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.21 +/- 1.67   0.016% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.86 +/- 2.68   0.000% *  0.2081% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.53 +/- 1.65   0.001% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.92 +/- 1.43   0.000% *  0.0509% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HG3   PRO   68  21.60 +/- 1.84   0.000% *  0.0192% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.88 +/- 1.19   0.000% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  23.50 +/- 2.26   0.000% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 168.9:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.51 +/- 0.26 100.000% * 99.7339% (0.31  10.0 10.00   3.89 168.92) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  25.77 +/- 2.61   0.000% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 168.9:
      O T HA    ARG+  54 - HG2   ARG+  54   2.69 +/- 0.61  99.780% * 97.8074% (1.00  10.0 10.00   5.69 168.92) = 100.000%  kept
        T HA    LEU  115 - HG2   ARG+  54  14.66 +/- 1.59   0.012% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   PRO   68  11.35 +/- 5.85   0.179% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  19.34 +/- 1.40   0.001% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  16.93 +/- 2.22   0.004% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  13.77 +/- 1.00   0.012% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  22.99 +/- 1.32   0.000% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.87 +/- 1.67   0.004% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  18.90 +/- 1.44   0.002% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  27.05 +/- 3.10   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  29.05 +/- 1.45   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.04 +/- 1.87   0.002% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  21.49 +/- 1.23   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  26.25 +/- 2.34   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  19.77 +/- 2.54   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.57 +/- 2.39   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.66 +/- 2.20   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  34.76 +/- 2.48   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.47, residual support = 168.9:
          HN    ARG+  54 - HG2   ARG+  54   3.36 +/- 0.28  99.887% * 99.0510% (0.87   6.47 168.92) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  13.09 +/- 1.26   0.040% *  0.1857% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.37 +/- 1.23   0.053% *  0.0496% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  15.29 +/- 1.26   0.015% *  0.0909% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  18.83 +/- 1.16   0.004% *  0.0422% (0.12   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  26.18 +/- 2.40   0.001% *  0.1583% (0.45   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.21 +/- 1.29   0.001% *  0.0817% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  32.10 +/- 2.35   0.000% *  0.3407% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.952, support = 0.0198, residual support = 0.0198:
          QB    ALA   57 - HB3   ARG+  54   5.67 +/- 1.03  95.897% * 19.4000% (0.97   0.02   0.02) =  96.910%  kept
          HD2   LYS+  74 - HB3   ARG+  54  14.65 +/- 2.05   3.020% * 14.5972% (0.73   0.02   0.02) =   2.296%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  16.00 +/- 2.05   0.362% * 19.7041% (0.98   0.02   0.02) =   0.372%
          HB3   LEU  123 - HB3   ARG+  54  23.00 +/- 3.18   0.328% * 19.4000% (0.97   0.02   0.02) =   0.331%
          QD    LYS+  65 - HB3   ARG+  54  16.40 +/- 1.53   0.301% *  3.5205% (0.18   0.02   0.02) =   0.055%
          QD    LYS+  33 - HB3   ARG+  54  26.08 +/- 2.10   0.020% * 19.4000% (0.97   0.02   0.02) =   0.020%
          HB2   LYS+ 121 - HB3   ARG+  54  21.37 +/- 1.75   0.072% *  3.9782% (0.20   0.02   0.02) =   0.015%
    Distance limit 3.02 A violated in 20 structures by 2.60 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.33, residual support = 168.9:
      O   HN    ARG+  54 - HB3   ARG+  54   2.46 +/- 0.59  99.989% * 99.7769% (0.87  10.0   5.33 168.92) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  13.57 +/- 1.06   0.010% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.57 +/- 1.91   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  32.52 +/- 1.84   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.53, residual support = 168.9:
      O   HN    ARG+  54 - HB2   ARG+  54   3.10 +/- 0.52  99.928% * 99.6984% (0.87  10.0   6.53 168.92) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  13.39 +/- 1.25   0.030% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  14.64 +/- 1.81   0.017% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  14.40 +/- 1.16   0.014% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  18.18 +/- 2.69   0.006% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  19.84 +/- 1.56   0.002% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  27.03 +/- 2.16   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  32.79 +/- 2.20   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  22.02 +/- 2.55   0.002% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  27.50 +/- 2.33   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  28.51 +/- 1.60   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  37.52 +/- 2.24   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.245, support = 1.49, residual support = 28.6:
          QE    PHE   59 - HA    LEU  115   3.39 +/- 0.74  95.274% * 66.2444% (0.25   1.50  28.77) =  99.456%  kept
          HN    PHE   59 - HA    LEU  115   7.32 +/- 1.15   1.385% * 20.9934% (0.13   0.93  28.77) =   0.458%
          QD    PHE   60 - HA    ARG+  54   7.82 +/- 1.00   1.469% *  2.0295% (0.57   0.02   0.02) =   0.047%
          HN    PHE   59 - HA    ARG+  54   8.37 +/- 0.86   0.865% *  1.4737% (0.41   0.02   0.02) =   0.020%
          QE    PHE   59 - HA    ARG+  54  11.20 +/- 1.62   0.216% *  2.8705% (0.80   0.02   0.02) =   0.010%
          QD    PHE   60 - HA    LEU  115   9.04 +/- 1.17   0.729% *  0.6245% (0.17   0.02   0.02) =   0.007%
          HN    LYS+  66 - HA    LEU  115  12.86 +/- 1.34   0.044% *  1.0812% (0.30   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    ARG+  54  16.73 +/- 1.24   0.012% *  3.5138% (0.98   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    ARG+  54  20.47 +/- 1.10   0.004% *  0.8939% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  22.95 +/- 1.13   0.002% *  0.2750% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.31, residual support = 158.2:
      O   HN    ARG+  54 - HA    ARG+  54   2.73 +/- 0.04  82.046% * 75.5578% (0.97  10.0   6.52 168.92) =  93.493%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.53 +/- 0.03  17.856% * 24.1648% (0.31  10.0   3.33   3.80) =   6.507%  kept
          HN    ASP-  62 - HA    ARG+  54  11.16 +/- 1.00   0.022% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115   9.81 +/- 1.12   0.048% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  12.98 +/- 0.89   0.008% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.21 +/- 0.80   0.020% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.94 +/- 1.82   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.00 +/- 1.46   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.53 +/- 1.58   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  30.53 +/- 1.82   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.27, residual support = 18.4:
          HN    ILE   56 - QB    PHE   55   2.65 +/- 0.27  99.081% * 97.4338% (0.57   4.27  18.37) =  99.998%  kept
          HN    LYS+ 111 - QB    PHE   55   6.97 +/- 2.74   0.676% *  0.1796% (0.22   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    PHE   55   9.63 +/- 1.80   0.224% *  0.2011% (0.25   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    PHE   55  11.71 +/- 0.69   0.017% *  0.5540% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  20.53 +/- 0.86   0.001% *  0.6737% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  22.76 +/- 0.72   0.000% *  0.7783% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  18.34 +/- 0.87   0.001% *  0.1796% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.93, residual support = 20.1:
      O   HN    PHE   55 - QB    PHE   55   2.05 +/- 0.07  98.769% * 99.5965% (0.73  10.0   2.93  20.12) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.27 +/- 0.13   1.226% *  0.0832% (0.61   1.0   0.02   3.80) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.80 +/- 0.63   0.005% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.68 +/- 1.42   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.22 +/- 0.69   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  27.71 +/- 0.82   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.89, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.34 +/- 1.35  95.493% * 36.5548% (0.90   0.02   0.02) =  97.550%  kept
          HN    LYS+  66 - QB    PHE   55  15.70 +/- 0.73   2.751% * 16.7569% (0.41   0.02   0.02) =   1.288%  kept
          HN    LYS+  81 - QB    PHE   55  19.18 +/- 0.76   0.895% * 40.3993% (0.99   0.02   0.02) =   1.010%  kept
          HE3   TRP   27 - QB    PHE   55  19.29 +/- 0.58   0.861% *  6.2891% (0.15   0.02   0.02) =   0.151%
    Distance limit 3.17 A violated in 20 structures by 5.11 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 6.04, residual support = 123.2:
      O   HN    ILE   56 - HB    ILE   56   2.83 +/- 0.56  99.333% * 98.8687% (0.25  10.0   6.04 123.22) =  99.999%  kept
          QE    PHE   60 - HB    ILE   56   8.72 +/- 1.49   0.443% *  0.2245% (0.57   1.0   0.02   4.01) =   0.001%
          HN    LEU   63 - HB    ILE   56   9.63 +/- 0.95   0.223% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  20.91 +/- 2.17   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  23.35 +/- 1.84   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.506, support = 2.28, residual support = 14.4:
          QD    PHE   55 - HB    ILE   56   4.26 +/- 0.73  65.704% * 61.5004% (0.41   2.73  18.37) =  77.511%  kept
          QE    PHE   95 - HB    ILE   56   5.40 +/- 1.91  34.137% * 34.3410% (0.84   0.75   0.63) =  22.487%  kept
          HD1   TRP   49 - HB    ILE   56  13.15 +/- 1.91   0.096% *  0.8379% (0.76   0.02   0.02) =   0.002%
          HN    LEU   67 - HB    ILE   56  15.45 +/- 0.77   0.037% *  1.0867% (0.99   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB    ILE   56  18.85 +/- 1.27   0.011% *  0.6650% (0.61   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  21.30 +/- 1.09   0.004% *  0.9510% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  19.03 +/- 1.47   0.009% *  0.3740% (0.34   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  27.17 +/- 1.68   0.001% *  0.2441% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.69, residual support = 123.2:
      O T QD1   ILE   56 - HB    ILE   56   2.56 +/- 0.41  99.967% * 99.4902% (0.87  10.0 10.00   4.69 123.22) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  13.24 +/- 1.90   0.026% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  15.43 +/- 1.16   0.004% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  16.27 +/- 1.00   0.003% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  21.92 +/- 1.97   0.000% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.88, residual support = 123.2:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.992% * 98.2187% (0.87  10.0 10.00   3.88 123.22) = 100.000%  kept
        T HG3   LYS+ 121 - QG1   ILE   56  13.36 +/- 1.12   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QG1   ILE   56  12.99 +/- 0.96   0.001% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  10.78 +/- 1.67   0.006% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.71 +/- 1.82   0.000% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.7, residual support = 123.2:
        T QG2   ILE   56 - QD1   ILE   56   2.45 +/- 0.61  99.778% * 98.5057% (0.72 10.00   4.70 123.22) = 100.000%  kept
          QB    ALA   91 - QD1   ILE   56   8.77 +/- 1.57   0.157% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  15.06 +/- 1.40   0.004% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   9.41 +/- 1.17   0.056% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  16.99 +/- 1.24   0.001% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  14.79 +/- 1.32   0.004% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  23.19 +/- 2.03   0.000% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.76, support = 1.93, residual support = 3.67:
          QB    ALA  110 - QD1   ILE   56   4.77 +/- 2.93  16.040% * 74.5817% (0.85  1.00   2.37   4.75) =  77.136%  kept
          HB3   LEU  115 - QD1   ILE   56   3.05 +/- 1.58  75.644% *  3.0599% (0.21  1.00   0.39   0.02) =  14.925%  kept
          QB    ALA   61 - QD1   ILE   56   6.76 +/- 0.75   7.529% * 16.2759% (0.94  1.00   0.47   0.02) =   7.901%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  11.13 +/- 0.98   0.157% *  1.9490% (0.26 10.00   0.02   0.02) =   0.020%
          QG    LYS+  66 - QD1   ILE   56  10.13 +/- 0.86   0.294% *  0.6081% (0.82  1.00   0.02   0.02) =   0.012%
          HB3   LEU   67 - QD1   ILE   56  13.08 +/- 1.15   0.048% *  0.6871% (0.93  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   ILE   56  12.62 +/- 1.40   0.106% *  0.1748% (0.24  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD1   ILE   56  15.66 +/- 1.81   0.025% *  0.5855% (0.79  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   ILE   56  14.52 +/- 1.79   0.024% *  0.4815% (0.65  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   ILE   56  13.24 +/- 1.83   0.091% *  0.1082% (0.15  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD1   ILE   56  16.19 +/- 1.37   0.011% *  0.6471% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  16.26 +/- 1.83   0.010% *  0.2882% (0.39  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  14.38 +/- 1.85   0.018% *  0.1561% (0.21  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  19.52 +/- 2.51   0.003% *  0.3969% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 3 structures by 0.32 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.88, residual support = 123.2:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.856% * 98.9931% (0.85  10.0 10.00   3.88 123.22) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   7.95 +/- 1.46   0.096% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   8.39 +/- 2.35   0.036% *  0.0341% (0.29   1.0  1.00   0.02   2.20) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56   9.80 +/- 2.05   0.009% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.95 +/- 1.50   0.001% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  13.06 +/- 1.57   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.75 +/- 1.74   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.32 +/- 1.98   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.69, residual support = 123.2:
      O T HB    ILE   56 - QD1   ILE   56   2.56 +/- 0.41  99.305% * 98.1990% (0.72  10.0 10.00   4.69 123.22) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.64 +/- 0.54   0.425% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD1   ILE   56   9.01 +/- 1.39   0.118% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   8.96 +/- 2.14   0.140% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  17.24 +/- 1.42   0.002% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  14.12 +/- 1.52   0.005% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.12 +/- 1.19   0.003% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  21.97 +/- 1.71   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.32 +/- 1.38   0.001% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.90 +/- 1.61   0.000% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.82, residual support = 8.55:
        T HA    LYS+ 112 - QD1   ILE   56   4.70 +/- 1.82  85.900% * 99.8484% (0.79 10.00   1.82   8.56) =  99.991%  kept
          HB2   HIS  122 - QD1   ILE   56  11.19 +/- 1.84   5.888% *  0.0744% (0.54  1.00   0.02   0.02) =   0.005%
          HB    THR   46 - QD1   ILE   56   9.07 +/- 1.32   8.100% *  0.0406% (0.29  1.00   0.02   0.02) =   0.004%
          HB2   HIS   22 - QD1   ILE   56  17.71 +/- 2.01   0.112% *  0.0366% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 11 structures by 1.63 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.98, residual support = 8.02:
          HA    ALA  110 - QD1   ILE   56   4.50 +/- 3.63  77.287% * 45.6347% (0.94   2.68   4.75) =  75.967%  kept
          HA    PHE   55 - QD1   ILE   56   5.49 +/- 1.07  20.754% * 53.7494% (0.76   3.91  18.37) =  24.027%  kept
          HA    VAL  107 - QD1   ILE   56   6.90 +/- 2.35   1.792% *  0.1289% (0.36   0.02   0.02) =   0.005%
          HA    ALA   91 - QD1   ILE   56  10.85 +/- 1.50   0.083% *  0.0856% (0.24   0.02   0.02) =   0.000%
          HA    GLN   90 - QD1   ILE   56  13.48 +/- 1.23   0.021% *  0.3249% (0.89   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  11.77 +/- 1.90   0.062% *  0.0765% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 2 structures by 0.33 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56   9.96 +/- 0.84 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.30 A violated in 20 structures by 6.66 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.61, residual support = 20.7:
          HN    PHE   59 - QD1   ILE   56   3.68 +/- 0.27  99.385% * 93.2751% (0.29   1.61  20.66) =  99.978%  kept
          HN    HIS  122 - QD1   ILE   56  10.37 +/- 1.16   0.605% *  3.2579% (0.82   0.02   0.02) =   0.021%
          HH2   TRP   87 - QD1   ILE   56  17.73 +/- 1.94   0.010% *  3.4671% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 1 structures by 0.29 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.9:
          HN    ALA   57 - QD1   ILE   56   3.67 +/- 0.75  93.560% * 98.3780% (0.42   4.64  33.92) =  99.975%  kept
          HE21  GLN  116 - QD1   ILE   56   7.68 +/- 1.52   6.383% *  0.3548% (0.36   0.02   0.02) =   0.025%
          HE21  GLN   90 - QD1   ILE   56  14.93 +/- 2.40   0.052% *  0.9124% (0.91   0.02   0.02) =   0.001%
          HD21  ASN   35 - QD1   ILE   56  21.60 +/- 1.76   0.004% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 1 structures by 0.26 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.252, support = 5.4, residual support = 116.7:
          HN    ILE   56 - QD1   ILE   56   3.67 +/- 0.69  84.517% * 70.0026% (0.24   5.66 123.22) =  94.559%  kept
          QE    PHE   60 - QD1   ILE   56   6.70 +/- 2.06  12.236% * 27.7280% (0.54   0.99   4.01) =   5.423%  kept
          HN    LEU   63 - QD1   ILE   56   7.01 +/- 0.76   3.223% *  0.3385% (0.32   0.02   0.02) =   0.017%
          HZ2   TRP   87 - QD1   ILE   56  16.86 +/- 1.84   0.016% *  0.9923% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  18.97 +/- 1.60   0.007% *  0.9387% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 2 structures by 0.34 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.74, residual support = 8.55:
          HN    LYS+ 112 - QD1   ILE   56   5.95 +/- 2.00  90.235% * 97.4186% (0.50   1.74   8.56) =  99.926%  kept
          HN    VAL   75 - QD1   ILE   56  11.21 +/- 1.40   7.720% *  0.4747% (0.21   0.02   0.02) =   0.042%
          HN    ASP-  78 - QD1   ILE   56  14.09 +/- 1.17   2.022% *  1.3794% (0.61   0.02   0.02) =   0.032%
          HN    MET   11 - QD1   ILE   56  29.62 +/- 1.80   0.023% *  0.7273% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 14 structures by 2.32 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.7:
        T HB3   PHE   59 - QG1   ILE   56   2.82 +/- 0.73  95.688% * 99.8494% (0.38 10.00   3.00  20.66) =  99.993%  kept
          HB2   PHE   95 - QG1   ILE   56   7.25 +/- 2.16   4.312% *  0.1506% (0.57  1.00   0.02   0.63) =   0.007%
    Distance limit 3.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.355, support = 2.57, residual support = 20.5:
        T HB2   PHE   59 - QG1   ILE   56   2.62 +/- 0.68  84.174% * 73.3068% (0.34 10.00   2.49  20.66) =  94.675%  kept
          QB    PHE   55 - QG1   ILE   56   4.57 +/- 0.79  13.335% * 25.9935% (0.61  1.00   3.99  18.37) =   5.318%  kept
          HB3   CYSS  53 - QG1   ILE   56   6.19 +/- 0.95   1.477% *  0.1927% (0.90  1.00   0.02   0.02) =   0.004%
          HD3   PRO   93 - QG1   ILE   56   6.69 +/- 1.40   0.937% *  0.1561% (0.73  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - QG1   ILE   56   9.44 +/- 1.32   0.072% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  14.61 +/- 1.03   0.005% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.19 +/- 0.94 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.85 A violated in 20 structures by 6.34 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 20.7:
          QD    PHE   59 - QG1   ILE   56   3.42 +/- 0.59  99.882% * 96.4507% (0.34   1.97  20.66) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.45 +/- 1.18   0.107% *  1.1777% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  19.14 +/- 1.95   0.006% *  1.3944% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  18.92 +/- 1.55   0.005% *  0.9772% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.04, residual support = 123.2:
      O   HN    ILE   56 - HA    ILE   56   2.90 +/- 0.08  99.699% * 98.8687% (0.25  10.0   5.04 123.22) =  99.999%  kept
          QE    PHE   60 - HA    ILE   56   9.07 +/- 1.16   0.182% *  0.2245% (0.57   1.0   0.02   4.01) =   0.000%
          HN    LEU   63 - HA    ILE   56   9.32 +/- 1.02   0.118% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  22.51 +/- 2.09   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  24.79 +/- 1.77   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 24.0:
        T HD2   PRO   58 - QB    ALA   57   2.11 +/- 0.27  99.378% * 98.8080% (0.95 10.00   5.07  24.02) = 100.000%  kept
          HB2   CYSS  53 - QB    ALA   57   5.80 +/- 1.34   0.622% *  0.0356% (0.34  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QB    ALA   57  20.07 +/- 1.43   0.000% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  23.25 +/- 1.27   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  23.49 +/- 0.95   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.86, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.65 +/- 0.51  99.890% * 98.4865% (0.18  10.0   4.86  24.29) = 100.000%  kept
          HE21  GLN  116 - QB    ALA   57  11.10 +/- 2.08   0.078% *  0.1252% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  12.70 +/- 0.70   0.016% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - QB    ALA   57  15.37 +/- 1.74   0.008% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  16.85 +/- 1.36   0.003% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  14.96 +/- 0.98   0.006% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.47, residual support = 24.3:
      O   HN    ALA   57 - HA    ALA   57   2.63 +/- 0.23  99.975% * 99.6015% (0.57  10.0   4.47  24.29) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  12.64 +/- 2.18   0.018% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  13.93 +/- 0.69   0.005% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  17.36 +/- 2.01   0.002% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.07 +/- 1.48   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.14 +/- 0.01  99.806% * 98.9094% (0.53  10.0 10.00   2.81  24.29) = 100.000%  kept
          HG3   PRO   93 - HA    ALA   57   7.26 +/- 1.94   0.165% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    ALA   57   9.84 +/- 1.13   0.014% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.33 +/- 1.20   0.013% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  16.23 +/- 0.67   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  16.20 +/- 1.35   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  20.22 +/- 1.69   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.48 +/- 1.37   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.06 +/- 1.23   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  20.65 +/- 1.73   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.81 +/- 1.04   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.80 +/- 1.63   0.000% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.259, support = 0.02, residual support = 0.02:
          HN    CYSS  53 - HB2   PRO   58  12.65 +/- 0.71  93.392% *  5.7685% (0.15   0.02   0.02) =  79.937%  kept
          HN    GLN   32 - HB2   PRO   58  26.90 +/- 0.84   1.067% * 37.3861% (1.00   0.02   0.02) =   5.920%  kept
          HN    SER   85 - HB2   PRO   58  25.98 +/- 1.12   1.327% * 29.9364% (0.80   0.02   0.02) =   5.893%  kept
          HN    ALA   34 - HB2   PRO   58  24.71 +/- 0.93   1.820% * 15.3699% (0.41   0.02   0.02) =   4.151%  kept
          HN    LEU   80 - HB2   PRO   58  23.47 +/- 1.06   2.394% * 11.5391% (0.31   0.02   0.02) =   4.099%  kept
    Distance limit 3.85 A violated in 20 structures by 8.65 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.3, residual support = 40.7:
      O   HN    PHE   59 - HB3   PRO   58   4.14 +/- 0.09  96.371% * 99.6725% (0.61  10.0   6.30  40.67) =  99.997%  kept
          QE    PHE   59 - HB3   PRO   58   8.87 +/- 0.72   1.207% *  0.1360% (0.83   1.0   0.02  40.67) =   0.002%
          QD    PHE   60 - HB3   PRO   58   8.09 +/- 0.65   1.993% *  0.0382% (0.23   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB3   PRO   58  10.73 +/- 0.62   0.350% *  0.1049% (0.64   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  14.33 +/- 1.48   0.078% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  26.38 +/- 1.42   0.002% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 146.9:
      O   HD2   PRO   58 - HG3   PRO   58   2.30 +/- 0.00  99.990% * 99.7269% (0.95  10.0   5.39 146.95) = 100.000%  kept
          HB2   CYSS  53 - HG3   PRO   58  10.90 +/- 0.96   0.010% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  27.02 +/- 1.20   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  28.37 +/- 1.57   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.87 +/- 1.23   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 146.9:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.910% * 99.2991% (0.76  10.0   4.50 146.95) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  13.93 +/- 1.35   0.055% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  16.82 +/- 1.45   0.018% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  18.25 +/- 1.49   0.010% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  21.92 +/- 1.33   0.003% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  23.31 +/- 1.52   0.002% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  28.43 +/- 1.87   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.25 +/- 1.08   0.000% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.43, residual support = 24.0:
          HN    ALA   57 - HD2   PRO   58   2.48 +/- 0.70  99.784% * 98.5482% (0.54   5.43  24.02) =  99.999%  kept
          HE21  GLN  116 - HD2   PRO   58  10.90 +/- 2.78   0.193% *  0.4146% (0.61   0.02   0.02) =   0.001%
          HN    ALA  120 - HD2   PRO   58  13.13 +/- 0.88   0.019% *  0.6185% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  18.46 +/- 1.48   0.002% *  0.2405% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  19.99 +/- 2.09   0.002% *  0.1782% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 146.9:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  97.727% * 99.2639% (0.72  10.0   6.52 146.95) = 100.000%  kept
          HA    THR   46 - HD3   PRO   58  11.39 +/- 1.30   0.219% *  0.1254% (0.91   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD3   PRO   58  15.83 +/- 1.16   0.028% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68  10.03 +/- 1.50   0.561% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  10.30 +/- 1.20   0.455% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.02 +/- 1.08   0.479% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  16.07 +/- 1.64   0.027% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  10.75 +/- 1.53   0.344% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  20.75 +/- 1.12   0.005% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  21.52 +/- 1.61   0.004% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  14.16 +/- 0.88   0.053% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  15.21 +/- 2.16   0.054% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.98 +/- 0.77   0.036% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  27.43 +/- 1.51   0.001% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.71 +/- 1.17   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  20.10 +/- 1.59   0.007% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.82, residual support = 24.0:
          HN    ALA   57 - HD3   PRO   58   2.06 +/- 0.27  99.921% * 97.8394% (0.54   3.82  24.02) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58   9.77 +/- 2.53   0.053% *  0.5846% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  11.71 +/- 0.66   0.006% *  0.8722% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  11.34 +/- 5.17   0.015% *  0.0150% (0.02   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  17.40 +/- 1.38   0.000% *  0.3392% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  19.94 +/- 1.89   0.000% *  0.2513% (0.26   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  13.70 +/- 2.94   0.002% *  0.0386% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.70 +/- 1.14   0.002% *  0.0111% (0.01   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  16.45 +/- 2.89   0.001% *  0.0259% (0.03   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  17.60 +/- 1.19   0.000% *  0.0227% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.0:
          QB    ALA   57 - HD3   PRO   58   3.27 +/- 0.19  99.440% * 96.7335% (0.87   3.30  24.02) =  99.999%  kept
          QD    LYS+  65 - HD3   PRO   58  10.76 +/- 1.03   0.093% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   PRO   58  12.83 +/- 0.95   0.033% *  0.6298% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  14.18 +/- 2.04   0.024% *  0.5698% (0.85   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  14.57 +/- 1.10   0.016% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  15.48 +/- 1.18   0.010% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   9.74 +/- 0.65   0.167% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  12.53 +/- 4.49   0.088% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  12.90 +/- 1.68   0.038% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  13.40 +/- 3.45   0.042% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  22.60 +/- 1.64   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  15.16 +/- 1.84   0.015% *  0.0279% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  22.61 +/- 1.31   0.001% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.44 +/- 0.73   0.011% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  13.89 +/- 0.68   0.019% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.55 +/- 1.18   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  24.42 +/- 3.29   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  24.28 +/- 1.77   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 24.0:
        T QB    ALA   57 - HD2   PRO   58   2.11 +/- 0.27  99.986% * 97.4262% (0.87 10.00   5.07  24.02) = 100.000%  kept
        T QD    LYS+  65 - HD2   PRO   58  10.66 +/- 1.12   0.008% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   PRO   58  13.29 +/- 1.05   0.002% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  15.34 +/- 2.10   0.002% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.14 +/- 1.20   0.001% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  16.61 +/- 1.31   0.001% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  23.42 +/- 1.39   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  27.63 +/- 1.01   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  23.24 +/- 1.70   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 146.9:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.991% * 99.6708% (0.89  10.0 10.00   7.73 146.95) = 100.000%  kept
          HB2   CYSS  53 - HD3   PRO   58   8.71 +/- 0.76   0.008% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  18.11 +/- 0.87   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  24.34 +/- 1.29   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  15.17 +/- 1.51   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.45 +/- 1.71   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  13.82 +/- 0.58   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  27.13 +/- 1.37   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  25.54 +/- 1.83   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HD2   PRO   68  21.66 +/- 1.31   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 146.9:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.992% * 99.5891% (0.95  10.0 10.00   7.73 146.95) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.52 +/- 0.34   0.008% *  0.0446% (0.42   1.0  1.00   0.02   1.08) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  18.11 +/- 0.87   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  17.89 +/- 1.11   0.000% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.65, residual support = 40.7:
          HN    PHE   59 - HD2   PRO   58   3.70 +/- 0.03  99.262% * 99.0702% (0.69   6.65  40.67) =  99.999%  kept
          QE    PHE   59 - HD2   PRO   58   8.63 +/- 0.63   0.714% *  0.1399% (0.32   0.02  40.67) =   0.001%
          HN    HIS  122 - HD2   PRO   58  15.39 +/- 1.10   0.023% *  0.4020% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  25.01 +/- 1.71   0.001% *  0.3879% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.7:
        T QG1   ILE   56 - HB3   PHE   59   2.82 +/- 0.73  99.992% * 99.6917% (0.53 10.00   3.00  20.66) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  17.44 +/- 1.19   0.004% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  18.43 +/- 2.11   0.004% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.46, support = 0.684, residual support = 5.91:
          HB3   ASP-  62 - HB3   PHE   59   4.97 +/- 0.40  42.683% * 68.6200% (0.45   0.75   6.51) =  89.262%  kept
          HB    VAL  107 - HB3   PHE   59   7.14 +/- 2.12  11.705% * 17.3643% (0.38   0.23   1.63) =   6.195%  kept
          QE    LYS+ 112 - HB3   PHE   59   5.67 +/- 2.13  45.525% *  3.2682% (0.80   0.02   0.02) =   4.534%  kept
          HB3   PHE   45 - HB3   PHE   59  13.92 +/- 1.07   0.082% *  3.2682% (0.80   0.02   0.02) =   0.008%
          HB3   ASP-  86 - HB3   PHE   59  23.27 +/- 1.51   0.004% *  3.5404% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  27.30 +/- 1.50   0.001% *  3.9389% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 20.7:
        T QG1   ILE   56 - HB2   PHE   59   2.62 +/- 0.68  99.966% * 99.0024% (0.18 10.00   2.49  20.66) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  13.48 +/- 2.18   0.023% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  16.67 +/- 1.64   0.004% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  18.05 +/- 2.24   0.004% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  18.66 +/- 2.31   0.002% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  20.32 +/- 1.47   0.001% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 58.8:
      O   HN    PHE   59 - HB3   PHE   59   2.31 +/- 0.36  99.980% * 99.4232% (0.31  10.0   4.98  58.85) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.47 +/- 0.75   0.020% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  21.88 +/- 1.77   0.000% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.8:
      O   HN    PHE   59 - HB2   PHE   59   2.51 +/- 0.42  95.588% * 99.7763% (1.00  10.0   4.37  58.85) =  99.996%  kept
          QE    PHE   59 - HB2   PHE   59   4.47 +/- 0.03   4.331% *  0.0799% (0.80   1.0   0.02  58.85) =   0.004%
          HN    HIS  122 - HB2   PHE   59  10.78 +/- 1.02   0.040% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59   9.98 +/- 0.52   0.041% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  21.01 +/- 2.12   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.51:
          HB2   ASP-  62 - HA    PHE   59   3.47 +/- 0.31  99.831% * 97.0773% (0.99  1.00   1.50   6.51) =  99.997%  kept
        T QB    ASP- 113 - HA    PHE   59  11.38 +/- 1.03   0.116% *  2.2871% (0.18 10.00   0.02   0.02) =   0.003%
          HB2   PRO   52 - HA    PHE   59  12.95 +/- 1.05   0.052% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.51:
          HB3   ASP-  62 - HA    PHE   59   2.43 +/- 0.37  99.870% * 85.4423% (0.18  1.00   2.96   6.51) =  99.998%  kept
          HG3   GLN  116 - HA    PHE   59   8.47 +/- 1.43   0.128% *  1.1256% (0.34  1.00   0.02   0.33) =   0.002%
        T HB3   TRP   87 - HA    PHE   59  18.98 +/- 1.55   0.001% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    PHE   59  15.80 +/- 1.61   0.002% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  27.22 +/- 2.48   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 58.8:
      O   HN    PHE   59 - HA    PHE   59   2.76 +/- 0.03  95.525% * 99.7763% (1.00  10.0   4.97  58.85) =  99.996%  kept
          QE    PHE   59 - HA    PHE   59   4.76 +/- 0.41   4.223% *  0.0799% (0.80   1.0   0.02  58.85) =   0.004%
          HN    LYS+  66 - HA    PHE   59   7.89 +/- 0.55   0.191% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.71 +/- 0.90   0.061% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  22.35 +/- 1.67   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 20.5:
          HN    PHE   60 - HB3   PHE   59   3.61 +/- 0.40  91.743% * 98.7573% (0.61   4.01  20.55) =  99.984%  kept
          HN    GLN  116 - HB3   PHE   59   6.28 +/- 0.93   6.810% *  0.1422% (0.18   0.02   0.33) =   0.011%
          HN    THR  118 - HB3   PHE   59   7.76 +/- 0.97   1.444% *  0.3047% (0.38   0.02  10.92) =   0.005%
          HN    GLU-  15 - HB3   PHE   59  21.61 +/- 0.84   0.002% *  0.7958% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.993, support = 3.92, residual support = 71.7:
          QD    PHE   60 - HA    PHE   60   2.48 +/- 0.36  92.711% * 91.3261% (1.00   3.94  72.03) =  99.331%  kept
          QE    PHE   59 - HA    PHE   60   4.87 +/- 1.49   7.149% *  7.9643% (0.25   1.37  20.55) =   0.668%  kept
          HN    LYS+  66 - HA    PHE   60   7.62 +/- 0.45   0.140% *  0.3375% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  20.34 +/- 0.79   0.000% *  0.3721% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 72.0:
      O   HN    PHE   60 - HA    PHE   60   2.81 +/- 0.04  99.863% * 99.7483% (0.61  10.0   4.94  72.03) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.52 +/- 0.86   0.044% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.43 +/- 1.20   0.091% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  16.90 +/- 1.20   0.002% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.01, residual support = 41.9:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.02  99.949% * 99.5823% (0.84  10.0   5.01  41.86) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  15.99 +/- 1.08   0.015% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  18.16 +/- 0.97   0.007% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  16.26 +/- 1.01   0.013% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  17.87 +/- 1.33   0.008% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  18.62 +/- 1.48   0.006% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  21.65 +/- 1.32   0.002% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.154, support = 0.749, residual support = 0.748:
          HA    ALA   57 - HB2   PHE   60   3.24 +/- 0.30  99.377% * 42.7977% (0.15   0.75   0.75) =  99.896%  kept
          HA    ASP-  44 - HB2   PHE   60   8.41 +/- 1.55   0.568% *  7.3803% (1.00   0.02   0.47) =   0.098%
          HB    THR   77 - HB2   PHE   60  15.26 +/- 1.12   0.012% *  7.2502% (0.98   0.02   0.02) =   0.002%
          HA1   GLY   51 - HB2   PHE   60  13.37 +/- 1.18   0.028% *  2.7761% (0.38   0.02   0.02) =   0.002%
          HA    ILE  103 - HB2   PHE   60  18.19 +/- 1.26   0.004% *  6.8280% (0.92   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   PHE   60  19.18 +/- 1.11   0.003% *  4.1877% (0.57   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   PHE   60  20.65 +/- 1.17   0.002% *  7.2502% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   PHE   60  19.67 +/- 1.50   0.003% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   PHE   60  19.91 +/- 1.34   0.002% *  3.0409% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  22.64 +/- 1.32   0.001% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  26.21 +/- 1.33   0.000% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  29.17 +/- 1.81   0.000% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.0:
      O   QD    PHE   60 - HB2   PHE   60   2.40 +/- 0.13  99.925% * 99.7759% (0.76  10.0   3.76  72.03) = 100.000%  kept
          QD    PHE   55 - HB2   PHE   60   9.19 +/- 1.10   0.046% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   60   9.57 +/- 0.36   0.027% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  15.37 +/- 1.12   0.002% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.84 +/- 1.00   0.000% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.9, residual support = 41.9:
          HN    ALA   61 - HB2   PHE   60   2.82 +/- 0.42  99.984% * 95.7380% (0.38   4.90  41.86) = 100.000%  kept
          HD1   TRP   87 - HB2   PHE   60  16.86 +/- 1.33   0.004% *  0.9344% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  15.80 +/- 1.39   0.006% *  0.4671% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  18.69 +/- 0.95   0.002% *  0.8343% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  20.95 +/- 1.42   0.001% *  0.9618% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  19.14 +/- 1.55   0.002% *  0.1608% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  21.64 +/- 1.78   0.001% *  0.3554% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  23.66 +/- 1.28   0.000% *  0.5482% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.8, residual support = 72.0:
      O   HN    PHE   60 - HB2   PHE   60   2.14 +/- 0.33  99.988% * 99.7483% (0.61  10.0   4.80  72.03) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  12.07 +/- 0.96   0.004% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.22 +/- 1.05   0.007% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  18.03 +/- 1.24   0.000% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.38, residual support = 12.1:
        T QD1   LEU   63 - HA    PHE   60   2.53 +/- 0.55  88.608% * 98.2281% (1.00 10.00   3.38  12.13) =  99.991%  kept
          QD2   LEU  115 - HA    PHE   60   6.80 +/- 1.43   4.658% *  0.0820% (0.84  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HA    PHE   60   4.56 +/- 0.87   6.698% *  0.0556% (0.57  1.00   0.02  12.13) =   0.004%
        T QD1   LEU   73 - HA    PHE   60  10.75 +/- 1.21   0.023% *  0.9823% (1.00 10.00   0.02   0.18) =   0.000%
        T QD1   LEU  104 - HA    PHE   60  12.82 +/- 1.61   0.009% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  14.39 +/- 1.00   0.004% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  16.99 +/- 1.24   0.002% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 12.1:
        T HB2   LEU   63 - HA    PHE   60   3.13 +/- 0.46  93.816% * 98.8172% (0.92 10.00   1.50  12.13) =  99.991%  kept
          HB3   ASP-  44 - HA    PHE   60   6.19 +/- 1.22   5.364% *  0.1399% (0.98  1.00   0.02   0.47) =   0.008%
          HB3   PRO   93 - HA    PHE   60   8.55 +/- 1.37   0.587% *  0.1238% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    PHE   60  12.89 +/- 1.59   0.106% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  14.63 +/- 1.30   0.012% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  14.89 +/- 1.67   0.012% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  14.55 +/- 0.70   0.012% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.96 +/- 1.39   0.014% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.67 +/- 1.19   0.045% *  0.0220% (0.15  1.00   0.02   0.18) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.77 +/- 1.14   0.020% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  17.36 +/- 0.95   0.004% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  18.83 +/- 1.36   0.003% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  18.09 +/- 1.58   0.003% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.58 +/- 1.66   0.001% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  23.06 +/- 1.40   0.001% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.361, support = 0.0198, residual support = 0.0198:
        T QG2   VAL   18 - HA    ALA   61   5.98 +/- 2.13  71.833% * 23.8406% (0.34 10.00   0.02   0.02) =  92.641%  kept
          QD1   ILE   56 - HA    ALA   61   8.40 +/- 1.02  18.335% *  4.2391% (0.61  1.00   0.02   0.02) =   4.205%  kept
        T QG1   VAL   41 - HA    ALA   61  15.06 +/- 0.76   0.491% * 53.4130% (0.76 10.00   0.02   0.02) =   1.418%  kept
          QD2   LEU   73 - HA    ALA   61  10.84 +/- 0.91   2.868% *  6.0626% (0.87  1.00   0.02   0.02) =   0.940%  kept
          QG2   THR   46 - HA    ALA   61   9.82 +/- 1.41   5.090% *  1.7428% (0.25  1.00   0.02   0.02) =   0.480%
          QG1   VAL   43 - HA    ALA   61  12.73 +/- 0.90   1.252% *  3.9569% (0.57  1.00   0.02   0.02) =   0.268%
          HG    LEU   31 - HA    ALA   61  18.73 +/- 1.19   0.131% *  6.7450% (0.97  1.00   0.02   0.02) =   0.048%
    Distance limit 2.89 A violated in 16 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.6, residual support = 7.44:
        T QB    ALA   64 - HA    ALA   61   2.70 +/- 0.32  99.856% * 98.7496% (0.34 10.00   2.60   7.44) = 100.000%  kept
          QD1   LEU  115 - HA    ALA   61   8.92 +/- 1.23   0.135% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   75 - HA    ALA   61  13.51 +/- 1.11   0.008% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.44:
          HN    ALA   64 - HA    ALA   61   3.44 +/- 0.21 100.000% *100.0000% (0.84   0.75   7.44) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.76, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.82 +/- 0.04  99.994% * 98.9218% (0.38  10.0   2.76  17.96) = 100.000%  kept
          HN    THR   39 - HA    ALA   61  19.32 +/- 0.96   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ALA   61  19.24 +/- 1.50   0.001% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  19.56 +/- 1.17   0.001% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  19.84 +/- 1.22   0.001% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  22.31 +/- 0.86   0.000% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  22.03 +/- 1.17   0.000% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  21.29 +/- 1.24   0.001% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.78, residual support = 72.0:
      O   QD    PHE   60 - HB3   PHE   60   2.62 +/- 0.17  93.903% * 99.6845% (0.73  10.0   3.78  72.03) =  99.995%  kept
          QE    PHE   59 - HB3   PHE   60   6.19 +/- 1.90   4.574% *  0.0888% (0.65   1.0   0.02  20.55) =   0.004%
          HN    PHE   59 - HB3   PHE   60   5.33 +/- 0.35   1.473% *  0.0382% (0.28   1.0   0.02  20.55) =   0.001%
          HN    LYS+  66 - HB3   PHE   60   9.37 +/- 0.54   0.049% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  19.27 +/- 0.91   0.001% *  0.0515% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.94, residual support = 72.0:
      O   HN    PHE   60 - HB3   PHE   60   2.72 +/- 0.33  99.998% * 99.5797% (0.20  10.0   4.94  72.03) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  17.44 +/- 1.35   0.002% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.859, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  16.19 +/- 1.44  45.889% * 23.9067% (0.95   0.02   0.02) =  56.173%  kept
          HN    THR   39 - HB3   PHE   60  20.18 +/- 1.35  12.483% * 23.3294% (0.92   0.02   0.02) =  14.911%  kept
          HN    TRP   27 - HB3   PHE   60  17.85 +/- 0.99  25.769% *  8.6206% (0.34   0.02   0.02) =  11.374%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.96 +/- 1.93   9.962% * 20.2366% (0.80   0.02   0.02) =  10.322%  kept
          HN    GLU-  36 - HB3   PHE   60  22.80 +/- 1.20   5.898% * 23.9067% (0.95   0.02   0.02) =   7.219%  kept
    Distance limit 3.56 A violated in 20 structures by 10.59 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.31, residual support = 5.56:
          HA    LYS+  81 - QB    ALA   84   2.56 +/- 0.22  99.970% * 58.7588% (0.33  1.00   2.31   5.56) =  99.996%  kept
        T HA    ASN   28 - QB    ALA   84  11.43 +/- 0.58   0.015% * 13.7633% (0.89 10.00   0.02   0.02) =   0.003%
        T HA    ALA   34 - QB    ALA   84  18.03 +/- 0.52   0.001% * 11.3943% (0.74 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  15.38 +/- 1.18   0.003% *  1.3371% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  15.36 +/- 0.80   0.003% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  16.66 +/- 1.79   0.002% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  25.36 +/- 1.13   0.000% * 11.3943% (0.74 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  13.38 +/- 0.40   0.006% *  0.2300% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  17.06 +/- 0.88   0.001% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  21.68 +/- 0.61   0.000% *  0.3718% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.183, support = 2.22, residual support = 19.6:
          HA    SER   85 - QB    ALA   84   3.78 +/- 0.04  53.430% * 37.5504% (0.15  1.00   2.33  20.74) =  94.256%  kept
          HA    ASP-  86 - QB    ALA   84   6.50 +/- 0.06   2.072% * 51.2594% (0.84  1.00   0.57   0.02) =   4.989%  kept
          HB    THR   77 - QB    ALA   84   3.99 +/- 0.57  42.622% *  0.3223% (0.15  1.00   0.02   0.02) =   0.645%  kept
        T HA    ASP-  44 - QB    ALA   84   8.89 +/- 0.55   0.346% *  4.1336% (0.19 10.00   0.02   0.02) =   0.067%
          HA    TRP   87 - QB    ALA   84   6.88 +/- 0.13   1.521% *  0.5807% (0.27  1.00   0.02   0.02) =   0.042%
          HA    LEU  104 - QB    ALA   84  16.88 +/- 0.52   0.007% *  2.0158% (0.93  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QB    ALA   84  22.88 +/- 0.80   0.001% *  1.9281% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  27.15 +/- 1.53   0.000% *  1.7447% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  28.76 +/- 2.55   0.000% *  0.4650% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.25, residual support = 18.4:
      O   HN    ALA   84 - QB    ALA   84   2.01 +/- 0.04  99.930% * 98.8488% (0.30  10.0   4.25  18.42) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   7.32 +/- 0.73   0.053% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84   9.33 +/- 0.73   0.011% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  11.52 +/- 1.44   0.004% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  14.63 +/- 0.99   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  13.97 +/- 0.91   0.001% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  17.14 +/- 0.48   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 3.87, residual support = 20.7:
          HN    SER   85 - QB    ALA   84   2.73 +/- 0.08  97.928% * 98.8043% (0.77   3.87  20.74) =  99.996%  kept
          HN    LEU   80 - QB    ALA   84   5.28 +/- 0.38   2.051% *  0.1969% (0.30   0.02   0.02) =   0.004%
          HN    GLN   32 - QB    ALA   84  15.00 +/- 0.63   0.004% *  0.6380% (0.97   0.02   0.02) =   0.000%
          HN    CYSS  53 - QB    ALA   84  11.84 +/- 0.74   0.016% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  16.59 +/- 0.55   0.002% *  0.2623% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.928, support = 0.02, residual support = 24.5:
          HN    LEU  123 - QB    ALA  120   3.86 +/- 0.09  95.582% * 42.6516% (0.94   0.02  25.14) =  97.249%  kept
          HN    ALA  124 - QB    ALA  120   6.46 +/- 0.29   4.415% * 26.1005% (0.57   0.02   0.02) =   2.749%  kept
          HE21  GLN   17 - QB    ALA  120  21.16 +/- 1.02   0.004% * 31.2479% (0.69   0.02   0.02) =   0.003%
    Distance limit 2.74 A violated in 20 structures by 1.08 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.3, residual support = 6.34:
        T HA    SER  117 - QB    ALA  120   2.52 +/- 0.31  99.980% * 99.1094% (0.54 10.00   2.30   6.34) = 100.000%  kept
          HA1   GLY   51 - QB    ALA  120  19.69 +/- 2.92   0.008% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA  120  13.47 +/- 0.69   0.005% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  17.06 +/- 2.47   0.002% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.15 +/- 1.78   0.005% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  25.16 +/- 0.95   0.000% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  25.72 +/- 1.73   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.01, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.10 +/- 0.08  99.966% * 99.3531% (0.97  10.0   4.01  17.96) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   9.00 +/- 1.09   0.020% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  10.85 +/- 2.33   0.010% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  17.09 +/- 0.81   0.000% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  17.52 +/- 1.38   0.000% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  16.05 +/- 0.81   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.93 +/- 1.16   0.001% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  19.20 +/- 0.96   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.87 +/- 1.16   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  17.52 +/- 0.90   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  18.00 +/- 0.79   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.12 +/- 1.03   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.59:
      O   HN    ALA  110 - QB    ALA  110   2.67 +/- 0.24  99.850% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   9.42 +/- 1.45   0.074% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.78 +/- 1.04   0.028% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  12.98 +/- 1.63   0.010% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61  10.94 +/- 0.95   0.027% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  12.68 +/- 1.26   0.011% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  20.37 +/- 1.46   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.71 +/- 1.27   0.000% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.988, support = 2.76, residual support = 8.18:
          HN    ASP-  62 - QB    ALA   61   2.81 +/- 0.13  87.529% * 86.2829% (1.00   2.79   8.30) =  98.493%  kept
          HN    PHE   55 - QB    ALA  110   5.52 +/- 3.79  10.899% * 10.5433% (0.33   1.02   0.49) =   1.499%  kept
          HN    ARG+  54 - QB    ALA  110   6.86 +/- 3.41   1.436% *  0.3981% (0.64   0.02   0.02) =   0.007%
          HN    ARG+  54 - QB    ALA   61  10.07 +/- 0.87   0.052% *  0.5380% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61   9.86 +/- 0.91   0.057% *  0.2781% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  11.58 +/- 1.92   0.024% *  0.4580% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  17.54 +/- 1.01   0.002% *  0.6080% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  20.63 +/- 1.17   0.001% *  0.4499% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.97 +/- 0.76   0.001% *  0.2550% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.76 +/- 1.01   0.000% *  0.1887% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.884, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  18.13 +/- 1.37  52.803% * 28.1529% (1.00   0.02   0.02) =  62.400%  kept
          HA    GLU-  14 - HB2   ASP-  62  20.44 +/- 1.17  26.466% * 21.5631% (0.76   0.02   0.02) =  23.955%  kept
          HA    TRP   87 - HB2   ASP-  62  23.69 +/- 1.01  10.414% * 12.6499% (0.45   0.02   0.02) =   5.530%  kept
          HA    ALA   12 - HB2   ASP-  62  26.32 +/- 1.66   5.882% * 18.2527% (0.65   0.02   0.02) =   4.507%  kept
          HA    ASP-  86 - HB2   ASP-  62  27.28 +/- 0.68   4.434% * 19.3814% (0.69   0.02   0.02) =   3.608%  kept
    Distance limit 3.40 A violated in 20 structures by 12.78 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.821, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  17.61 +/- 1.54  54.992% * 10.2586% (0.98  1.00   0.02   0.02) =  48.190%  kept
        T HA    ASP-  86 - HB3   ASP-  62  26.39 +/- 0.84   4.719% * 70.6236% (0.67 10.00   0.02   0.02) =  28.467%  kept
          HA    GLU-  14 - HB3   ASP-  62  20.36 +/- 1.11  23.732% *  7.8573% (0.75  1.00   0.02   0.02) =  15.929%  kept
          HA    TRP   87 - HB3   ASP-  62  22.81 +/- 1.06  11.420% *  4.6095% (0.44  1.00   0.02   0.02) =   4.497%  kept
          HA    ALA   12 - HB3   ASP-  62  26.28 +/- 1.69   5.137% *  6.6511% (0.63  1.00   0.02   0.02) =   2.918%  kept
    Distance limit 3.14 A violated in 20 structures by 12.68 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.75, residual support = 3.23:
          HN    LYS+  65 - HA    ASP-  62   3.36 +/- 0.19 100.000% *100.0000% (0.15   0.75   3.23) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.79 +/- 0.04  99.990% * 99.7294% (1.00  10.0   3.84  41.02) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  15.33 +/- 0.86   0.004% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  14.45 +/- 0.88   0.006% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.62 +/- 0.66   0.000% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.65 +/- 0.77   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.4:
          HN    LEU   63 - HB2   ASP-  62   3.43 +/- 0.49  99.810% * 98.7126% (0.97   5.24  42.44) =  99.999%  kept
          HN    ILE   56 - HB2   ASP-  62  11.00 +/- 0.76   0.152% *  0.3501% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   ASP-  62  13.72 +/- 1.69   0.035% *  0.2054% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  23.23 +/- 0.73   0.001% *  0.1900% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  24.94 +/- 0.94   0.001% *  0.2682% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  24.52 +/- 0.51   0.001% *  0.2054% (0.53   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  28.59 +/- 1.07   0.000% *  0.0684% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.84 +/- 0.45  99.992% * 99.6462% (0.69  10.0   3.84  41.02) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  14.41 +/- 1.03   0.007% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  23.42 +/- 1.08   0.001% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.22 +/- 0.84   0.001% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HN    LEU   63 - HB3   ASP-  62   2.72 +/- 0.29  99.945% * 98.7126% (0.95   5.24  42.44) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.29 +/- 0.67   0.042% *  0.3501% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.02 +/- 1.69   0.011% *  0.2054% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  22.39 +/- 1.01   0.000% *  0.1900% (0.48   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  24.16 +/- 1.06   0.000% *  0.2682% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  23.62 +/- 0.71   0.000% *  0.2054% (0.52   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  28.02 +/- 1.19   0.000% *  0.0684% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.32 +/- 0.27  99.992% * 99.7294% (0.98  10.0   3.84  41.02) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.73 +/- 0.90   0.003% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  12.54 +/- 0.94   0.005% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  21.58 +/- 0.86   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.08 +/- 1.17   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.975, support = 2.04, residual support = 5.33:
          QB    LYS+  66 - HA    LEU   63   2.89 +/- 0.50  94.081% * 48.0746% (1.00   1.95   5.57) =  94.316%  kept
          QB    LYS+  65 - HA    LEU   63   5.11 +/- 0.34   5.509% * 49.4516% (0.57   3.55   1.41) =   5.681%  kept
          HG    LEU  123 - HA    LEU   63   8.85 +/- 2.50   0.334% *  0.2788% (0.57   0.02   0.02) =   0.002%
          HG2   PRO   93 - HA    LEU   63  13.22 +/- 1.24   0.024% *  0.4417% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LEU   63  12.40 +/- 0.95   0.032% *  0.2591% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   63  14.17 +/- 1.06   0.011% *  0.4659% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.62 +/- 1.05   0.004% *  0.4113% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  16.85 +/- 1.11   0.003% *  0.3383% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  18.47 +/- 1.29   0.002% *  0.2788% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.534, support = 1.59, residual support = 5.69:
          HN    LYS+  66 - HA    LEU   63   3.47 +/- 0.22  93.398% * 46.9635% (0.53   1.61   5.57) =  97.231%  kept
          QD    PHE   60 - HA    LEU   63   6.74 +/- 0.55   2.165% * 46.5480% (0.97   0.87  12.13) =   2.234%  kept
          QE    PHE   59 - HA    LEU   63   6.35 +/- 1.14   4.437% *  5.4398% (0.14   0.73   0.77) =   0.535%  kept
          HN    LYS+  81 - HA    LEU   63  24.64 +/- 0.73   0.001% *  1.0487% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.53, residual support = 240.8:
      O   HN    LEU   63 - HA    LEU   63   2.79 +/- 0.04  99.982% * 99.6457% (1.00  10.0   7.53 240.83) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.28 +/- 0.64   0.009% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.47 +/- 1.80   0.007% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  22.61 +/- 0.74   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  20.16 +/- 0.80   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  21.79 +/- 1.05   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  24.61 +/- 1.07   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 12.1:
        T HA    PHE   60 - HB2   LEU   63   3.13 +/- 0.46  99.105% * 98.4768% (0.49 10.00   1.50  12.13) =  99.999%  kept
          HA    ALA  120 - HB2   LEU   63  10.06 +/- 1.62   0.205% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.09 +/- 1.22   0.100% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.87 +/- 0.32   0.469% *  0.0472% (0.18  1.00   0.02   1.41) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  12.10 +/- 1.71   0.063% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  13.07 +/- 1.12   0.028% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  13.07 +/- 1.20   0.022% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  17.82 +/- 1.26   0.004% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  18.24 +/- 1.06   0.003% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  21.09 +/- 0.56   0.001% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.77, residual support = 53.2:
          HN    ALA   64 - HB2   LEU   63   3.14 +/- 0.40 100.000% *100.0000% (0.57   6.77  53.22) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.73, residual support = 17.1:
          QE    PHE   72 - HB2   LEU   63   4.30 +/- 1.53  99.688% * 99.3693% (0.99   2.73  17.12) =  99.999%  kept
          HN    ALA   47 - HB2   LEU   63  14.36 +/- 0.96   0.278% *  0.3290% (0.45   0.02   0.02) =   0.001%
          HD22  ASN   28 - HB2   LEU   63  19.39 +/- 1.09   0.033% *  0.3017% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 8 structures by 0.89 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.85, residual support = 240.8:
      O   HN    LEU   63 - HB2   LEU   63   2.10 +/- 0.10  99.992% * 99.6457% (1.00  10.0   7.85 240.83) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.12 +/- 0.77   0.005% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  12.68 +/- 1.89   0.003% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  20.32 +/- 0.72   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  18.46 +/- 0.79   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  20.21 +/- 1.09   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  24.06 +/- 1.40   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 42.4:
          HN    ASP-  62 - HB2   LEU   63   4.45 +/- 0.08  99.702% * 98.5490% (0.76   4.54  42.44) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.37 +/- 0.98   0.149% *  0.5095% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.12 +/- 1.05   0.110% *  0.2335% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.53 +/- 1.11   0.029% *  0.4745% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  20.47 +/- 0.63   0.011% *  0.2335% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.67, residual support = 53.2:
          HN    ALA   64 - HB3   LEU   63   3.71 +/- 0.55 100.000% *100.0000% (0.57   6.67  53.22) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.94, residual support = 17.1:
        T HZ    PHE   72 - HB3   LEU   63   4.14 +/- 1.59  99.906% * 99.9822% (0.87 10.00   2.94  17.12) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  16.07 +/- 1.29   0.094% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 8 structures by 0.86 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.51, residual support = 240.8:
      O   HN    LEU   63 - HB3   LEU   63   3.39 +/- 0.08  99.915% * 99.6457% (1.00  10.0   7.51 240.83) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.70 +/- 0.80   0.038% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  13.51 +/- 2.00   0.036% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  20.52 +/- 0.87   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  18.09 +/- 0.92   0.005% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  19.83 +/- 1.30   0.003% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.13 +/- 1.58   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 7.46, residual support = 240.8:
          HN    LEU   63 - HG    LEU   63   3.11 +/- 0.28  96.096% * 98.9276% (0.76   7.46 240.83) =  99.997%  kept
          QE    PHE   60 - HG    LEU   63   6.41 +/- 1.31   3.831% *  0.0687% (0.20   0.02  12.13) =   0.003%
          HN    ILE   56 - HG    LEU   63  11.61 +/- 0.80   0.040% *  0.2246% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  12.87 +/- 1.96   0.027% *  0.0965% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  18.26 +/- 1.24   0.003% *  0.2654% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  20.00 +/- 1.41   0.002% *  0.3205% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  20.27 +/- 1.12   0.002% *  0.0965% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.38, residual support = 12.1:
        T HA    PHE   60 - QD1   LEU   63   2.53 +/- 0.55  98.809% * 88.3934% (0.14 10.00   3.38  12.13) =  99.994%  kept
          HB    THR   94 - QD1   LEU   63   9.18 +/- 1.16   0.151% *  0.6303% (0.97  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD1   LEU   63   8.70 +/- 1.60   0.120% *  0.6178% (0.95  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD1   LEU   63   8.55 +/- 1.04   0.169% *  0.3962% (0.61  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU   63   8.23 +/- 0.30   0.177% *  0.3698% (0.57  1.00   0.02   1.41) =   0.001%
          HA    LYS+ 121 - QD1   LEU  104   8.62 +/- 4.58   0.249% *  0.1476% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   63   9.78 +/- 1.61   0.060% *  0.6029% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU   73  10.64 +/- 0.76   0.040% *  0.6303% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU   73  10.75 +/- 1.21   0.028% *  0.8839% (0.14 10.00   0.02   0.18) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  12.06 +/- 0.87   0.019% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  11.94 +/- 1.00   0.018% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  11.13 +/- 3.72   0.038% *  0.1512% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  12.78 +/- 0.61   0.013% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.43 +/- 1.06   0.007% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  13.12 +/- 1.20   0.013% *  0.3698% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.32 +/- 1.27   0.008% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.49 +/- 0.70   0.006% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.39 +/- 2.23   0.037% *  0.0970% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.82 +/- 1.61   0.010% *  0.2164% (0.03 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  15.99 +/- 0.53   0.003% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  16.57 +/- 2.21   0.002% *  0.6029% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  15.61 +/- 1.03   0.003% *  0.3962% (0.61  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  16.95 +/- 1.75   0.002% *  0.6178% (0.95  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  14.18 +/- 0.65   0.006% *  0.1543% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  19.00 +/- 0.89   0.001% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.66 +/- 1.37   0.005% *  0.0905% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  15.90 +/- 1.72   0.004% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  17.57 +/- 0.82   0.002% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.44 +/- 0.99   0.001% *  0.1595% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  23.54 +/- 1.12   0.000% *  0.1387% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 1.76, residual support = 11.8:
        T HZ3   TRP   27 - QD1   LEU   73   2.08 +/- 0.58  99.236% * 98.2334% (0.49 10.00   1.76  11.80) =  99.999%  kept
          HZ    PHE   45 - QD1   LEU   73   6.83 +/- 0.69   0.681% *  0.1668% (0.73  1.00   0.02   0.02) =   0.001%
        T HZ3   TRP   27 - QD1   LEU   63  10.17 +/- 0.69   0.021% *  1.1184% (0.49 10.00   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU   63  10.56 +/- 0.92   0.035% *  0.1668% (0.73  1.00   0.02   0.02) =   0.000%
        T HZ3   TRP   27 - QD1   LEU  104  11.46 +/- 1.10   0.011% *  0.2738% (0.12 10.00   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  12.91 +/- 1.12   0.017% *  0.0408% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.745, support = 1.3, residual support = 8.38:
          QD    PHE   60 - QD1   LEU   63   3.44 +/- 0.67  36.686% * 45.0783% (0.87   1.54  12.13) =  66.592%  kept
          QE    PHE   59 - QD1   LEU   63   3.28 +/- 1.69  61.424% * 13.0853% (0.49   0.80   0.77) =  32.365%  kept
          HN    LYS+  66 - QD1   LEU   63   6.32 +/- 0.20   0.661% * 38.8402% (0.95   1.22   5.57) =   1.034%  kept
          HN    PHE   59 - QD1   LEU   63   5.87 +/- 0.74   0.981% *  0.1183% (0.18   0.02   0.77) =   0.005%
          QD    PHE   60 - QD1   LEU   73   9.02 +/- 1.12   0.104% *  0.5857% (0.87   0.02   0.18) =   0.002%
          HN    LYS+  66 - QD1   LEU   73  12.46 +/- 1.17   0.014% *  0.6387% (0.95   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU   73  10.99 +/- 2.53   0.019% *  0.3287% (0.49   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  10.01 +/- 2.83   0.067% *  0.0804% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.75 +/- 0.78   0.010% *  0.3552% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  12.25 +/- 1.33   0.012% *  0.1563% (0.23   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.53 +/- 1.41   0.012% *  0.1434% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  17.10 +/- 0.70   0.002% *  0.3552% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  14.80 +/- 1.09   0.004% *  0.1183% (0.18   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.40 +/- 1.92   0.003% *  0.0289% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  21.29 +/- 0.73   0.000% *  0.0870% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.752, support = 6.3, residual support = 234.2:
          HN    LEU   63 - QD1   LEU   63   3.54 +/- 0.21  73.097% * 76.4748% (0.76   6.43 240.83) =  97.153%  kept
          QE    PHE   60 - QD1   LEU   63   4.69 +/- 0.88  21.041% *  6.1072% (0.20   1.98  12.13) =   2.233%  kept
          HD21  ASN   28 - QD1   LEU   73   6.95 +/- 0.92   2.267% * 15.3127% (0.92   1.07   0.13) =   0.603%  kept
          HZ2   TRP   87 - QD1   LEU   73   6.90 +/- 0.85   1.762% *  0.2379% (0.76   0.02   0.02) =   0.007%
          HN    ILE   56 - QD1   LEU   63   8.92 +/- 0.68   0.307% *  0.2014% (0.65   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   73   8.12 +/- 1.51   0.900% *  0.0616% (0.20   0.02   0.18) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   9.46 +/- 1.64   0.279% *  0.0866% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.01 +/- 0.98   0.054% *  0.2379% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  11.08 +/- 0.69   0.086% *  0.0866% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  13.77 +/- 0.72   0.024% *  0.2379% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  15.46 +/- 0.82   0.011% *  0.2874% (0.92   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  12.35 +/- 1.36   0.049% *  0.0582% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  16.16 +/- 0.99   0.008% *  0.2014% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  14.07 +/- 1.08   0.022% *  0.0582% (0.19   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  15.29 +/- 0.66   0.012% *  0.0866% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  16.55 +/- 1.16   0.008% *  0.0866% (0.28   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.77 +/- 1.66   0.043% *  0.0151% (0.05   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  16.10 +/- 1.13   0.009% *  0.0703% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.33 +/- 1.08   0.012% *  0.0212% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  18.31 +/- 1.67   0.004% *  0.0493% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  18.24 +/- 0.77   0.004% *  0.0212% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.9:
      O   HN    ALA   64 - HA    ALA   64   2.83 +/- 0.03 100.000% *100.0000% (0.97  10.0   4.22  20.87) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.691, support = 2.61, residual support = 37.1:
        T HZ    PHE   72 - HA    ALA   64   2.92 +/- 0.89  68.537% * 39.4733% (0.57 10.00   2.25  37.09) =  58.711%  kept
        T QD    PHE   72 - HA    ALA   64   3.46 +/- 0.82  31.459% * 60.4788% (0.87 10.00   3.12  37.09) =  41.289%  kept
          QE    PHE   45 - HA    ALA   64  13.19 +/- 1.36   0.004% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.06, residual support = 4.0:
          HN    LEU   67 - HA    ALA   64   3.18 +/- 0.24  99.453% * 91.8198% (0.87   1.06   4.00) =  99.989%  kept
          QE    PHE   95 - HA    ALA   64   8.90 +/- 1.59   0.503% *  1.9624% (0.98   0.02   0.02) =   0.011%
          HE3   TRP   27 - HA    ALA   64  14.03 +/- 1.22   0.019% *  1.1335% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  16.00 +/- 0.89   0.008% *  1.2952% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  17.74 +/- 1.43   0.005% *  1.9844% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  15.55 +/- 1.50   0.011% *  0.7514% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  21.28 +/- 1.57   0.001% *  1.0533% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.811, support = 2.36, residual support = 8.11:
          QG2   VAL   18 - QB    ALA   64   4.10 +/- 1.63  80.966% * 55.0964% (0.84   2.33   8.54) =  94.826%  kept
          QD2   LEU   73 - QB    ALA   64   7.04 +/- 0.70   6.020% * 34.3111% (0.38   3.23   0.15) =   4.391%  kept
          QD1   ILE   19 - QB    ALA   64   7.55 +/- 1.17   4.031% *  8.5286% (0.38   0.80   0.02) =   0.731%  kept
          QG1   VAL   43 - QB    ALA   64   9.17 +/- 0.83   1.423% *  0.5545% (0.98   0.02   0.02) =   0.017%
          QG2   THR   46 - QB    ALA   64   8.57 +/- 1.15   1.807% *  0.4108% (0.73   0.02   0.02) =   0.016%
          QD1   ILE   56 - QB    ALA   64   8.38 +/- 1.04   4.599% *  0.0991% (0.18   0.02   0.02) =   0.010%
          QG1   VAL   41 - QB    ALA   64  10.53 +/- 0.65   0.690% *  0.5607% (0.99   0.02   0.02) =   0.008%
          HG    LEU   31 - QB    ALA   64  13.46 +/- 1.05   0.155% *  0.2976% (0.53   0.02   0.02) =   0.001%
          QD2   LEU  104 - QB    ALA   64  12.30 +/- 1.04   0.308% *  0.1411% (0.25   0.02   0.02) =   0.001%
    Distance limit 2.87 A violated in 13 structures by 1.42 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.931, support = 1.28, residual support = 6.38:
          QB    ALA   61 - QB    ALA   64   3.95 +/- 0.26  58.981% * 21.7844% (0.92   1.22   7.44) =  61.566%  kept
          HB3   LEU   67 - QB    ALA   64   4.91 +/- 0.93  23.434% * 24.4159% (0.99   1.27   4.00) =  27.415%  kept
          QG    LYS+  66 - QB    ALA   64   6.28 +/- 0.55   4.500% * 37.9461% (0.98   1.99   7.59) =   8.181%  kept
          HG    LEU   67 - QB    ALA   64   5.62 +/- 0.86  10.382% *  4.0989% (0.28   0.76   4.00) =   2.039%  kept
          HG12  ILE   19 - QB    ALA   64   7.77 +/- 1.56   1.625% * 10.0936% (0.65   0.80   0.02) =   0.786%  kept
          HG    LEU   73 - QB    ALA   64   9.28 +/- 0.94   0.433% *  0.3369% (0.87   0.02   0.15) =   0.007%
          HG    LEU   40 - QB    ALA   64  10.09 +/- 1.18   0.311% *  0.1458% (0.38   0.02   0.02) =   0.002%
          QB    ALA  110 - QB    ALA   64  12.04 +/- 1.61   0.091% *  0.2821% (0.73   0.02   0.02) =   0.001%
          HB3   LEU  115 - QB    ALA   64  10.85 +/- 1.18   0.163% *  0.1458% (0.38   0.02   0.02) =   0.001%
          HG    LEU   80 - QB    ALA   64  15.07 +/- 1.43   0.024% *  0.2969% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  18.28 +/- 1.57   0.007% *  0.2969% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  14.39 +/- 1.56   0.033% *  0.0599% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  15.78 +/- 1.64   0.017% *  0.0969% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.945, support = 1.93, residual support = 4.46:
          HB3   LEU   67 - HA    ALA   64   3.91 +/- 1.31  62.972% * 42.0257% (0.99   2.02   4.00) =  81.073%  kept
          QG    LYS+  66 - HA    ALA   64   6.23 +/- 0.74  11.329% * 31.3707% (0.98   1.53   7.59) =  10.888%  kept
          HG    LEU   67 - HA    ALA   64   4.92 +/- 1.13  19.840% * 10.0371% (0.28   1.72   4.00) =   6.100%  kept
          QB    ALA   61 - HA    ALA   64   6.46 +/- 0.23   4.338% * 14.5037% (0.92   0.75   7.44) =   1.927%  kept
          HG12  ILE   19 - HA    ALA   64   9.54 +/- 1.86   0.737% *  0.2710% (0.65   0.02   0.02) =   0.006%
          HG    LEU   73 - HA    ALA   64  10.95 +/- 1.07   0.282% *  0.3634% (0.87   0.02   0.15) =   0.003%
          HG    LEU   40 - HA    ALA   64  10.19 +/- 1.39   0.342% *  0.1572% (0.38   0.02   0.02) =   0.002%
          HB3   LEU  115 - HA    ALA   64  13.19 +/- 1.42   0.071% *  0.1572% (0.38   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ALA   64  15.05 +/- 1.69   0.031% *  0.3042% (0.73   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  18.83 +/- 1.54   0.010% *  0.3202% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  15.88 +/- 2.25   0.034% *  0.0646% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  20.19 +/- 1.85   0.005% *  0.3202% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  19.66 +/- 1.68   0.008% *  0.1045% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.48, residual support = 37.1:
        T HB3   PHE   72 - QB    ALA   64   4.11 +/- 0.80  87.855% * 99.3598% (0.76 10.00   2.48  37.09) =  99.985%  kept
          HB2   ASP-  44 - QB    ALA   64   6.65 +/- 1.13   7.190% *  0.1128% (0.87  1.00   0.02   0.02) =   0.009%
          QG    GLU-  15 - QB    ALA   64   8.20 +/- 1.14   2.828% *  0.1230% (0.95  1.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - QB    ALA   64  10.13 +/- 1.24   0.666% *  0.1086% (0.84  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QB    ALA   64   9.22 +/- 0.94   1.283% *  0.0443% (0.34  1.00   0.02   0.02) =   0.001%
          QB    MET   11 - QB    ALA   64  17.01 +/- 1.32   0.026% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  13.63 +/- 1.64   0.104% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  16.91 +/- 1.42   0.024% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  17.43 +/- 1.06   0.025% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 8 structures by 0.66 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.6, residual support = 7.44:
        T HA    ALA   61 - QB    ALA   64   2.70 +/- 0.32  99.538% * 99.8142% (1.00 10.00   2.60   7.44) = 100.000%  kept
          HD2   PRO   68 - QB    ALA   64   7.17 +/- 0.29   0.370% *  0.0923% (0.92  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA   64   9.28 +/- 0.53   0.065% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  11.56 +/- 1.09   0.023% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  15.52 +/- 1.32   0.004% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.83, residual support = 8.54:
          HA    VAL   18 - QB    ALA   64   4.46 +/- 1.11  94.343% * 92.8635% (0.90   1.84   8.54) =  99.968%  kept
          HA    VAL   70 - QB    ALA   64   8.30 +/- 0.90   4.377% *  0.4639% (0.41   0.02   0.02) =   0.023%
          HA    GLN  116 - QB    ALA   64  11.48 +/- 0.78   0.724% *  0.4639% (0.41   0.02   0.02) =   0.004%
          HA    SER   48 - QB    ALA   64  14.88 +/- 1.14   0.125% *  1.0675% (0.95   0.02   0.02) =   0.002%
          HA    LYS+  33 - QB    ALA   64  14.88 +/- 0.77   0.126% *  0.8194% (0.73   0.02   0.02) =   0.001%
          HD2   PRO   52 - QB    ALA   64  14.69 +/- 1.17   0.138% *  0.5937% (0.53   0.02   0.02) =   0.001%
          HA    GLU-  29 - QB    ALA   64  16.17 +/- 0.77   0.067% *  0.9788% (0.87   0.02   0.02) =   0.001%
          HA    GLN   32 - QB    ALA   64  16.39 +/- 0.72   0.064% *  0.8194% (0.73   0.02   0.02) =   0.001%
          HA    ALA   88 - QB    ALA   64  19.53 +/- 1.13   0.023% *  0.8624% (0.76   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  21.21 +/- 1.48   0.013% *  1.0675% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 8 structures by 0.95 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.486, support = 1.22, residual support = 2.43:
        T HA    GLN   17 - QB    ALA   64   4.56 +/- 1.09  93.726% * 94.1461% (0.49 10.00   1.22   2.43) =  99.849%  kept
        T HA    VAL   42 - QB    ALA   64   8.66 +/- 0.93   3.977% *  3.1132% (0.98 10.00   0.02   0.02) =   0.140%
        T HA    PHE   55 - QB    ALA   64  13.33 +/- 1.49   0.342% *  2.1817% (0.69 10.00   0.02   0.02) =   0.008%
          HA    THR   46 - QB    ALA   64  11.03 +/- 1.27   1.359% *  0.1306% (0.41  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - QB    ALA   64  13.44 +/- 2.10   0.437% *  0.1192% (0.38  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QB    ALA   64  15.70 +/- 1.02   0.102% *  0.1546% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  17.93 +/- 1.78   0.058% *  0.1546% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 9 structures by 0.84 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.54:
          HN    VAL   18 - QB    ALA   64   4.56 +/- 1.07  99.714% * 99.5979% (1.00   2.25   8.54) =  99.999%  kept
          HN    SER   13 - QB    ALA   64  14.60 +/- 1.19   0.195% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  15.68 +/- 0.90   0.092% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 9 structures by 0.91 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.853, support = 4.93, residual support = 37.1:
        T QD    PHE   72 - QB    ALA   64   3.03 +/- 0.45  75.278% * 86.2335% (0.87 10.00   4.94  37.09) =  95.050%  kept
          HZ    PHE   72 - QB    ALA   64   4.11 +/- 1.01  24.681% * 13.6982% (0.57  1.00   4.87  37.09) =   4.950%  kept
          QE    PHE   45 - QB    ALA   64  10.91 +/- 1.21   0.041% *  0.0683% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.9:
      O   HN    ALA   64 - QB    ALA   64   2.07 +/- 0.09 100.000% *100.0000% (0.57  10.0   4.22  20.87) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 165.0:
      O   HN    LYS+  65 - HA    LYS+  65   2.80 +/- 0.03  99.996% * 99.9887% (0.71  10.0   6.08 164.95) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.25 +/- 1.59   0.004% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2798 (8.65, 3.96, 58.29 ppm):
    6 chemical-shift based assignments, quality = 0.789, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65   8.61 +/- 1.78  43.511% * 34.8898% (0.87   0.02   0.02) =  88.663%  kept
          HN    SER  117 - HA    LYS+ 121   7.97 +/- 0.45  55.702% *  3.1809% (0.08   0.02   0.02) =  10.348%  kept
          HN    SER  117 - HA    LYS+  65  17.42 +/- 1.07   0.543% * 28.1870% (0.71   0.02   0.02) =   0.894%  kept
          HN    SER   82 - HA    LYS+  65  28.22 +/- 1.59   0.030% * 26.7825% (0.67   0.02   0.02) =   0.046%
          HN    GLY   16 - HA    LYS+ 121  20.84 +/- 2.56   0.194% *  3.9373% (0.10   0.02   0.02) =   0.045%
          HN    SER   82 - HA    LYS+ 121  29.79 +/- 0.73   0.021% *  3.0224% (0.08   0.02   0.02) =   0.004%
    Distance limit 3.38 A violated in 20 structures by 3.76 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.63, residual support = 26.8:
          HN    LYS+  65 - QB    ALA   64   2.72 +/- 0.17 100.000% *100.0000% (0.31   4.63  26.76) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 37.1:
          QE    PHE   72 - HA    ALA   64   2.48 +/- 0.38  99.999% * 99.3286% (0.65   3.97  37.09) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.49 +/- 1.10   0.001% *  0.6714% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.73, residual support = 3.23:
          HA    ASP-  62 - QB    LYS+  65   2.26 +/- 0.36  99.997% * 97.7611% (0.80   1.73   3.23) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.15 +/- 1.27   0.002% *  0.3135% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  20.82 +/- 1.96   0.000% *  0.7972% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.78 +/- 0.89   0.000% *  0.9109% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  24.10 +/- 1.23   0.000% *  0.2173% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.63, residual support = 165.0:
      O   HN    LYS+  65 - QB    LYS+  65   2.19 +/- 0.13 100.000% *100.0000% (0.76  10.0   6.63 164.95) = 100.000%  kept
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.91, residual support = 25.5:
          HN    LYS+  66 - QB    LYS+  65   3.02 +/- 0.19  99.394% * 98.6999% (0.53   5.91  25.50) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.54 +/- 0.49   0.467% *  0.6131% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.10 +/- 0.35   0.139% *  0.0860% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  24.41 +/- 1.08   0.000% *  0.6010% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.44, residual support = 165.0:
          HN    LYS+  65 - HG2   LYS+  65   3.05 +/- 0.49 100.000% *100.0000% (0.31   5.44 164.95) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 164.9:
      O T HA    LYS+  65 - HG3   LYS+  65   3.21 +/- 0.48  96.743% * 93.4743% (0.87  10.0 10.00   5.27 164.95) =  99.981%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.45 +/- 0.73   2.683% *  0.6392% (0.59   1.0 10.00   0.02  11.53) =   0.019%
          HA2   GLY   16 - HG3   LYS+  65  10.22 +/- 1.71   0.172% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  15.43 +/- 2.32   0.014% *  0.6024% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  11.92 +/- 3.14   0.074% *  0.0612% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  17.69 +/- 1.13   0.005% *  0.8072% (0.75   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  13.24 +/- 2.28   0.052% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  17.02 +/- 4.58   0.010% *  0.1187% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.10 +/- 1.01   0.003% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106  10.20 +/- 0.49   0.124% *  0.0079% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.16 +/- 1.37   0.020% *  0.0483% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  19.94 +/- 1.04   0.002% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  13.10 +/- 1.09   0.028% *  0.0293% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.38 +/- 0.87   0.002% *  0.3107% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.46 +/- 1.09   0.005% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.64 +/- 1.00   0.001% *  0.7402% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.74 +/- 1.21   0.001% *  0.7607% (0.71   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  15.38 +/- 0.91   0.010% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.45 +/- 2.12   0.017% *  0.0203% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  19.41 +/- 1.66   0.004% *  0.0935% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  18.91 +/- 1.66   0.003% *  0.0567% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  19.54 +/- 1.39   0.003% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.81 +/- 3.33   0.001% *  0.1259% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.43 +/- 1.74   0.002% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  21.71 +/- 1.16   0.001% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  20.53 +/- 3.41   0.002% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.26 +/- 1.84   0.004% *  0.0189% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  20.33 +/- 1.49   0.002% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  19.25 +/- 1.09   0.003% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.13 +/- 1.09   0.001% *  0.0602% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  26.32 +/- 1.34   0.000% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  25.08 +/- 1.77   0.001% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.94 +/- 1.07   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  24.27 +/- 2.90   0.001% *  0.0417% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.05 +/- 1.05   0.002% *  0.0163% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.69 +/- 1.46   0.000% *  0.0697% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  27.76 +/- 1.20   0.000% *  0.0807% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.48 +/- 0.67   0.001% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.28 +/- 1.88   0.001% *  0.0383% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.93 +/- 0.66   0.002% *  0.0113% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.98 +/- 1.34   0.000% *  0.0761% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  23.74 +/- 1.74   0.001% *  0.0232% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  28.02 +/- 1.10   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.52 +/- 1.23   0.000% *  0.0361% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.66, residual support = 23.1:
          HN    ASP- 105 - HG3   LYS+ 106   4.06 +/- 0.21  99.101% * 91.0753% (0.34   2.66  23.13) =  99.989%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.86 +/- 1.00   0.667% *  1.3293% (0.65   0.02   0.02) =   0.010%
          HN    ALA   88 - HG3   LYS+ 106  12.58 +/- 1.05   0.137% *  0.4847% (0.24   0.02   0.02) =   0.001%
          HN    ASP- 105 - HG3   LYS+  33  17.81 +/- 0.67   0.015% *  1.4105% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  18.51 +/- 1.12   0.012% *  1.6334% (0.80   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  17.56 +/- 1.54   0.018% *  0.9398% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.05 +/- 1.25   0.031% *  0.3147% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  22.14 +/- 1.05   0.004% *  0.9973% (0.49   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  18.78 +/- 1.43   0.012% *  0.1321% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  26.94 +/- 1.47   0.001% *  1.1549% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  28.16 +/- 1.34   0.001% *  0.2718% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  28.99 +/- 1.45   0.001% *  0.2561% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.0, residual support = 112.9:
      O   HN    LYS+  66 - HA    LYS+  66   2.88 +/- 0.04  99.918% * 99.6126% (0.53  10.0   5.00 112.93) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.63 +/- 0.53   0.042% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.87 +/- 0.90   0.040% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  28.93 +/- 1.09   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.98, residual support = 112.9:
      O   HN    LYS+  66 - QB    LYS+  66   2.22 +/- 0.12  99.901% * 99.6126% (0.53  10.0   4.98 112.93) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.42 +/- 0.55   0.037% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.94 +/- 1.15   0.062% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.54 +/- 1.09   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 112.9:
          HN    LYS+  66 - QG    LYS+  66   3.15 +/- 0.49  90.470% * 98.1500% (0.53   4.53 112.93) =  99.995%  kept
          HN    LYS+  66 - HG    LEU   67   5.76 +/- 1.08   8.491% *  0.0334% (0.04   0.02  10.20) =   0.003%
          QD    PHE   60 - QG    LYS+  66   9.17 +/- 0.87   0.161% *  0.7955% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QG    LYS+  66   8.19 +/- 1.04   0.498% *  0.1116% (0.14   0.02   0.02) =   0.001%
          QD    PHE   60 - HG    LEU   67   9.70 +/- 1.60   0.213% *  0.0612% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  11.17 +/- 2.77   0.167% *  0.0086% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.53 +/- 1.38   0.000% *  0.7797% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  25.29 +/- 1.60   0.000% *  0.0600% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.68, residual support = 112.9:
          HN    LYS+  66 - QD    LYS+  66   3.90 +/- 0.64  93.712% * 98.1124% (0.53   4.68 112.93) =  99.995%  kept
          QD    PHE   60 - QD    LYS+  66  10.10 +/- 1.02   0.342% *  0.7699% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   9.15 +/- 1.31   0.708% *  0.1080% (0.14   0.02   0.02) =   0.001%
          QE    PHE   59 - HD2   LYS+ 121   7.25 +/- 1.32   5.078% *  0.0134% (0.02   0.02   0.02) =   0.001%
          QD    PHE   60 - HD2   LYS+ 121  13.42 +/- 1.19   0.082% *  0.0957% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  14.06 +/- 2.18   0.074% *  0.0522% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.55 +/- 1.30   0.001% *  0.7546% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  27.05 +/- 1.01   0.001% *  0.0938% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.476, support = 3.04, residual support = 57.7:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  90.528% * 46.3097% (0.47  10.0 10.00   2.81  57.71) =  89.583%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.62 +/- 0.24   9.377% * 51.9824% (0.53  10.0  1.00   4.99  57.71) =  10.416%  kept
        T HG    LEU   40 - HB2   LEU   67   9.57 +/- 2.46   0.013% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   6.17 +/- 0.62   0.065% *  0.0598% (0.61   1.0  1.00   0.02  10.20) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.49 +/- 0.76   0.008% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  15.28 +/- 2.71   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.84 +/- 1.27   0.001% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.21 +/- 2.17   0.005% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.88 +/- 2.28   0.000% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  12.97 +/- 2.59   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  19.77 +/- 2.24   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.10 +/- 2.38   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  20.70 +/- 1.71   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 3.25, residual support = 57.7:
      O T QD1   LEU   67 - HB2   LEU   67   2.47 +/- 0.39  99.623% * 98.6993% (0.70  10.0 10.00   3.25  57.71) =  99.999%  kept
        T QD2   LEU   40 - HB2   LEU   67   8.84 +/- 1.83   0.081% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.73 +/- 0.84   0.277% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.45 +/- 1.97   0.013% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  14.84 +/- 2.04   0.003% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  16.41 +/- 1.40   0.002% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  15.59 +/- 2.22   0.002% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 57.7:
          HA    LEU   67 - QD2   LEU   67   2.49 +/- 0.57  99.997% * 98.8214% (0.53   2.76  57.71) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  16.83 +/- 1.42   0.003% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 2.97, residual support = 57.7:
      O   HG    LEU   67 - QD1   LEU   67   2.11 +/- 0.02  98.753% * 96.8242% (0.73  10.0  1.00   2.97  57.71) =  99.992%  kept
        T HG    LEU   40 - QD1   LEU   67   7.17 +/- 2.46   0.858% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LEU   40 - QD1   LEU   67   7.05 +/- 1.83   0.300% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   8.81 +/- 1.50   0.036% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  12.18 +/- 2.24   0.006% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  10.01 +/- 1.71   0.016% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67  10.77 +/- 2.70   0.019% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  12.37 +/- 2.49   0.005% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  11.51 +/- 1.71   0.006% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  15.51 +/- 2.50   0.001% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.25, residual support = 57.7:
      O T HB2   LEU   67 - QD1   LEU   67   2.47 +/- 0.39  95.291% * 98.3333% (0.31  10.0 10.00   3.25  57.71) =  99.992%  kept
          HG2   PRO   68 - QD1   LEU   67   6.71 +/- 0.88   1.105% *  0.2941% (0.92   1.0  1.00   0.02  17.35) =   0.003%
          HB    ILE   19 - QD1   LEU   67   8.34 +/- 2.14   0.733% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QD1   LEU   67   6.58 +/- 2.11   2.099% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD1   LEU   67   7.87 +/- 2.52   0.755% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   LEU   67  13.63 +/- 2.51   0.004% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  13.33 +/- 2.29   0.005% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.46 +/- 1.15   0.004% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  18.68 +/- 1.73   0.001% *  0.1428% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  16.85 +/- 2.81   0.001% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.1, residual support = 57.7:
      O   QD2   LEU   67 - HG    LEU   67   2.12 +/- 0.02  91.566% * 99.2738% (0.87  10.0  1.00   3.10  57.71) =  99.989%  kept
        T QD1   LEU   40 - HG    LEU   67   6.82 +/- 2.07   1.378% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.011%
          QG2   ILE  119 - QG    LYS+  66   4.87 +/- 2.10   5.960% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG    LYS+  66   5.87 +/- 1.35   0.911% *  0.0076% (0.07   1.0  1.00   0.02  10.20) =   0.000%
          QG2   ILE  119 - HG    LEU   67   9.26 +/- 3.34   0.099% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.22 +/- 1.39   0.086% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.525, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   8.66 +/- 2.39  82.893% * 12.0360% (0.22   0.02   0.02) =  55.314%  kept
          QG2   ILE   89 - QD1   LEU   67  12.85 +/- 1.35  11.527% * 52.9912% (0.98   0.02   0.02) =  33.866%  kept
          QG1   VAL   83 - QD1   LEU   67  15.17 +/- 1.70   5.580% * 34.9728% (0.65   0.02   0.02) =  10.820%  kept
    Distance limit 3.08 A violated in 20 structures by 5.23 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.829, support = 3.47, residual support = 34.7:
        T HZ    PHE   72 - QD1   LEU   67   3.23 +/- 0.66  49.430% * 75.7718% (0.97 10.00   4.11  34.71) =  75.373%  kept
        T QD    PHE   72 - QD1   LEU   67   3.46 +/- 1.28  50.550% * 24.2087% (0.41 10.00   1.50  34.71) =  24.627%  kept
          QE    PHE   45 - QD1   LEU   67  11.32 +/- 1.62   0.020% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.14, residual support = 34.7:
          QE    PHE   72 - QD1   LEU   67   2.85 +/- 0.61  99.538% * 99.2777% (0.80   4.14  34.71) =  99.999%  kept
          QD    PHE   95 - QD1   LEU   67   8.59 +/- 1.78   0.455% *  0.1849% (0.31   0.02   0.02) =   0.001%
          HN    ALA   47 - QD1   LEU   67  15.37 +/- 1.22   0.006% *  0.5373% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.471, support = 0.0199, residual support = 0.0199:
        T HA    LEU  115 - HG    LEU   67  15.38 +/- 3.15   2.808% * 15.7849% (0.20 10.00   0.02   0.02) =  26.744%  kept
          HA    ALA  124 - HG    LEU   67  14.35 +/- 5.13   5.897% *  6.6623% (0.84  1.00   0.02   0.02) =  23.702%  kept
        T HA    ARG+  54 - HG    LEU   67  19.90 +/- 1.42   0.579% * 57.9196% (0.73 10.00   0.02   0.02) =  20.244%  kept
          HA    ALA  124 - QG    LYS+  66   9.27 +/- 3.80  62.195% *  0.5129% (0.06  1.00   0.02   0.02) =  19.244%  kept
          HA    GLU-  36 - HG    LEU   67  17.97 +/- 1.23   1.169% *  7.5452% (0.95  1.00   0.02   0.02) =   5.321%  kept
          HA    LEU  115 - QG    LYS+  66  11.19 +/- 1.49  21.151% *  0.1215% (0.02  1.00   0.02   0.02) =   1.551%  kept
          HA    ASN   28 - HG    LEU   67  18.07 +/- 1.77   1.216% *  1.7758% (0.22  1.00   0.02   0.02) =   1.303%  kept
          HA    ARG+  54 - QG    LYS+  66  16.32 +/- 1.55   3.562% *  0.4459% (0.06  1.00   0.02   0.02) =   0.958%  kept
          HA    LYS+  81 - HG    LEU   67  24.93 +/- 1.58   0.134% *  7.9057% (0.99  1.00   0.02   0.02) =   0.639%  kept
          HA    GLU-  36 - QG    LYS+  66  21.17 +/- 1.36   0.506% *  0.5808% (0.07  1.00   0.02   0.02) =   0.177%
          HA    LYS+  81 - QG    LYS+  66  24.73 +/- 1.34   0.180% *  0.6086% (0.08  1.00   0.02   0.02) =   0.066%
          HA    ASN   28 - QG    LYS+  66  20.87 +/- 1.56   0.603% *  0.1367% (0.02  1.00   0.02   0.02) =   0.050%
    Distance limit 3.86 A violated in 20 structures by 3.97 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.7, residual support = 57.7:
      O   HA    LEU   67 - HG    LEU   67   3.21 +/- 0.53  88.997% * 99.3233% (0.15  10.0   3.70  57.71) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.49 +/- 0.97  10.997% *  0.0076% (0.01   1.0   0.02  10.20) =   0.001%
          HA    ASP-  76 - HG    LEU   67  19.32 +/- 1.41   0.003% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.56 +/- 1.47   0.003% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.337, support = 0.0199, residual support = 0.0199:
          QD    PHE   60 - HG    LEU   67   9.70 +/- 1.60  31.624% *  5.4059% (0.18   0.02   0.02) =  43.494%  kept
          QE    PHE   95 - HG    LEU   67  11.82 +/- 1.85   9.543% * 11.5851% (0.38   0.02   0.02) =  28.128%  kept
          HE3   TRP   27 - HG    LEU   67  15.09 +/- 2.07   2.120% * 26.7757% (0.87   0.02   0.02) =  14.439%  kept
          QE    PHE   95 - QG    LYS+  66  10.23 +/- 1.30  20.160% *  0.8918% (0.03   0.02   0.02) =   4.574%  kept
          QD    PHE   60 - QG    LYS+  66   9.17 +/- 0.87  32.428% *  0.4162% (0.01   0.02   0.02) =   3.433%  kept
          QD    PHE   55 - HG    LEU   67  18.90 +/- 1.63   0.470% * 24.7171% (0.80   0.02   0.02) =   2.958%  kept
          HN    THR   23 - HG    LEU   67  19.43 +/- 2.21   0.461% * 10.5293% (0.34   0.02   0.02) =   1.235%  kept
          QD    PHE   55 - QG    LYS+  66  14.44 +/- 1.02   2.194% *  1.9027% (0.06   0.02   0.02) =   1.062%  kept
          HE3   TRP   27 - QG    LYS+  66  17.74 +/- 1.68   0.654% *  2.0612% (0.07   0.02   0.02) =   0.343%
          HN    LYS+  81 - HG    LEU   67  25.29 +/- 1.60   0.078% * 13.8391% (0.45   0.02   0.02) =   0.274%
          HN    THR   23 - QG    LYS+  66  21.60 +/- 1.73   0.199% *  0.8106% (0.03   0.02   0.02) =   0.041%
          HN    LYS+  81 - QG    LYS+  66  25.53 +/- 1.38   0.069% *  1.0653% (0.03   0.02   0.02) =   0.019%
    Distance limit 3.67 A violated in 20 structures by 3.85 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 2.81, residual support = 57.7:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.839% * 95.9469% (0.29  10.0 10.00   2.81  57.71) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.31 +/- 0.84   0.112% *  0.2870% (0.87   1.0  1.00   0.02  17.35) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  10.82 +/- 1.51   0.003% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   7.44 +/- 1.47   0.030% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67   9.46 +/- 2.12   0.016% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  17.21 +/- 2.13   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.48 +/- 0.77   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.83 +/- 1.72   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  21.22 +/- 2.65   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.38 +/- 1.26   0.000% *  0.1394% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  19.01 +/- 1.50 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 20 structures by 15.44 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 3.88, residual support = 57.7:
      O   HN    LEU   67 - HB3   LEU   67   3.21 +/- 0.52  99.883% * 99.4441% (0.54  10.0   3.88  57.71) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  11.55 +/- 1.87   0.102% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  17.70 +/- 1.90   0.007% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  17.55 +/- 1.81   0.004% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  24.43 +/- 1.70   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  19.24 +/- 1.55   0.003% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 57.7:
      O   HA    LEU   67 - HB2   LEU   67   2.89 +/- 0.19  99.999% * 99.8354% (0.38  10.0   5.08  57.71) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.86 +/- 1.44   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.11, residual support = 34.7:
          QE    PHE   72 - HB2   LEU   67   3.27 +/- 1.02  99.898% * 99.0423% (0.58   3.11  34.71) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67  11.09 +/- 2.19   0.097% *  0.2452% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  19.23 +/- 1.63   0.005% *  0.7125% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 3 structures by 0.30 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.81, residual support = 57.7:
      O   HN    LEU   67 - HB2   LEU   67   2.70 +/- 0.53  99.960% * 99.6033% (0.70  10.0   4.81  57.71) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  11.21 +/- 2.25   0.028% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  17.48 +/- 1.75   0.002% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  15.22 +/- 1.43   0.005% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.33 +/- 1.57   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  18.37 +/- 1.68   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  18.24 +/- 1.41   0.001% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  24.09 +/- 1.51   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.08, residual support = 34.7:
        T HZ    PHE   72 - HB2   LEU   67   3.60 +/- 1.39  99.974% * 99.9822% (0.63 10.00   3.08  34.71) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  17.65 +/- 1.73   0.026% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 4 structures by 0.48 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 4.0, residual support = 64.5:
      O T HA    VAL   24 - HB    VAL   24   2.59 +/- 0.30  91.089% * 82.3820% (0.57  10.0 10.00   3.97  65.10) =  98.093%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.09   8.905% * 16.3856% (0.11  10.0  1.00   5.47  35.93) =   1.907%  kept
          HA    LYS+  38 - HB2   PRO   68  14.50 +/- 1.20   0.005% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.52 +/- 1.15   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.88 +/- 0.49   0.000% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  24.67 +/- 1.67   0.000% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.24, residual support = 65.1:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  99.990% * 98.0584% (0.63  10.0 10.00   3.24  65.10) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.32 +/- 0.38   0.003% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.79 +/- 2.46   0.001% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.27 +/- 0.37   0.004% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  23.08 +/- 0.86   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.31 +/- 1.24   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  18.27 +/- 1.06   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.67 +/- 1.33   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  16.42 +/- 1.38   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.71 +/- 2.61   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  24.85 +/- 2.10   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  29.39 +/- 2.02   0.000% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.338, support = 6.08, residual support = 32.5:
      O   HN    ASN   69 - HB2   PRO   68   3.43 +/- 0.47  52.838% * 68.2760% (0.34  10.0   6.15  32.13) =  81.258%  kept
          HN    GLU-  25 - HB    VAL   24   3.54 +/- 0.71  45.234% * 17.8326% (0.31   1.0   5.88  34.59) =  18.169%  kept
          HN    ASN   28 - HB    VAL   24   5.85 +/- 0.24   1.889% * 13.4543% (0.66   1.0   2.06  11.89) =   0.572%  kept
          HN    ASP-  44 - HB    VAL   24  12.13 +/- 1.20   0.034% *  0.0659% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.84 +/- 0.79   0.004% *  0.0808% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.55 +/- 1.13   0.001% *  0.1603% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.27 +/- 1.21   0.000% *  0.0556% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.50 +/- 1.19   0.000% *  0.0745% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.1:
      O   HN    VAL   24 - HB    VAL   24   2.53 +/- 0.20 100.000% * 99.8774% (0.33  10.0   4.68  65.10) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  26.61 +/- 1.16   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 2.97, residual support = 35.9:
      O   HD3   PRO   68 - HG2   PRO   68   2.79 +/- 0.24  99.994% * 99.5120% (0.57  10.0   2.97  35.93) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  15.88 +/- 1.71   0.004% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HG2   PRO   68  21.77 +/- 1.65   0.001% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  21.18 +/- 1.19   0.001% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  23.68 +/- 2.14   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  26.22 +/- 2.72   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.97, residual support = 35.9:
      O   HD2   PRO   68 - HG2   PRO   68   2.41 +/- 0.23  99.990% * 99.8205% (0.63  10.0   2.97  35.93) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  12.75 +/- 0.80   0.007% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  14.20 +/- 1.07   0.003% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.57 +/- 1.37   0.001% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  23.97 +/- 1.31   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.769, support = 4.64, residual support = 51.0:
      O   HD3   PRO   68 - HG3   PRO   68   2.42 +/- 0.24  68.203% * 72.4685% (0.84  10.0  1.00   4.63  35.93) =  88.402%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.83 +/- 0.17  27.505% * 23.1002% (0.27  10.0 10.00   4.79 168.92) =  11.364%  kept
          QB    PHE   55 - HG2   ARG+  54   5.65 +/- 1.38   4.049% *  3.2235% (0.20   1.0  1.00   3.64   3.80) =   0.233%
          HB3   CYSS  53 - HG2   ARG+  54   6.64 +/- 0.69   0.188% *  0.0227% (0.26   1.0  1.00   0.02  31.26) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.08 +/- 1.39   0.038% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.21 +/- 1.67   0.016% *  0.0113% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.53 +/- 1.65   0.001% *  0.0422% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.86 +/- 2.68   0.000% *  0.8657% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HG3   PRO   68  21.60 +/- 1.84   0.000% *  0.0850% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.88 +/- 1.19   0.000% *  0.0663% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  23.50 +/- 2.26   0.000% *  0.0753% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.92 +/- 1.43   0.000% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.63, residual support = 35.9:
      O   HD2   PRO   68 - HG3   PRO   68   2.76 +/- 0.23  99.792% * 99.5569% (0.92  10.0  1.00   4.63  35.93) = 100.000%  kept
          HA    ALA   61 - HG3   PRO   68  12.42 +/- 1.01   0.015% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  15.08 +/- 1.22   0.004% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.47 +/- 1.21   0.174% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.36 +/- 1.47   0.012% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.12 +/- 1.38   0.002% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  24.51 +/- 1.34   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  23.23 +/- 2.37   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.62 +/- 1.61   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  32.04 +/- 2.26   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 35.9:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  98.975% * 98.5022% (0.98  10.0 10.00   5.00  35.93) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.07 +/- 0.55   0.873% *  0.0070% (0.07   1.0  1.00   0.02  40.67) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.70 +/- 0.72   0.119% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58   9.47 +/- 1.41   0.005% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HD3   PRO   58   7.66 +/- 0.83   0.017% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.25 +/- 1.64   0.011% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.46 +/- 1.37   0.000% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  22.06 +/- 1.85   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.32 +/- 1.05   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.89 +/- 0.76   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYSS  53 - HD2   PRO   68  20.10 +/- 1.53   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.78 +/- 2.67   0.000% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.0, residual support = 35.9:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.991% * 99.4504% (0.92  10.0 10.00   5.00  35.93) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.48 +/- 0.81   0.002% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93   9.47 +/- 1.41   0.005% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.32 +/- 1.05   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.34 +/- 1.37   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  22.06 +/- 1.85   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.36 +/- 0.70   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  23.22 +/- 1.40   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.47 +/- 0.93   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  28.02 +/- 0.51   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.56, residual support = 17.4:
      O   HA    LEU   67 - HD3   PRO   68   2.47 +/- 0.36  99.985% * 99.7870% (0.53  10.0   4.56  17.35) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  11.43 +/- 1.12   0.014% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  21.87 +/- 1.47   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  20.65 +/- 1.32   0.000% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 17.4:
      O   HA    LEU   67 - HD2   PRO   68   2.32 +/- 0.13  99.998% * 99.8155% (0.53  10.0   4.53  17.35) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  21.64 +/- 1.44   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  15.79 +/- 0.90   0.001% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.72 +/- 0.56   0.001% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 61.7:
      O   HD21  ASN   69 - HB2   ASN   69   2.98 +/- 0.50  99.896% * 99.5864% (0.65  10.0   3.63  61.65) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.03 +/- 1.17   0.099% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  17.45 +/- 0.95   0.004% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  21.55 +/- 1.09   0.001% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  24.94 +/- 0.82   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  27.44 +/- 0.64   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.5, residual support = 61.7:
      O   HN    ASN   69 - HB2   ASN   69   3.64 +/- 0.47  99.949% * 99.9414% (0.97  10.0   5.50  61.65) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.02 +/- 1.16   0.046% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  19.81 +/- 0.83   0.005% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.6, residual support = 61.7:
      O   HD21  ASN   69 - HB3   ASN   69   3.01 +/- 0.60  99.801% * 99.7810% (0.99  10.0   3.60  61.65) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69   9.80 +/- 1.14   0.198% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  25.67 +/- 0.66   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  22.36 +/- 0.83   0.001% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.99, residual support = 61.7:
      O   HN    ASN   69 - HB3   ASN   69   3.50 +/- 0.38  99.975% * 99.9414% (0.97  10.0   4.99  61.65) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  15.01 +/- 1.09   0.022% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.52 +/- 0.82   0.003% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.39, residual support = 61.6:
          HD21  ASN   69 - HA    ASN   69   3.73 +/- 0.18  97.882% * 90.6696% (0.20   3.40  61.65) =  99.978%  kept
          HN    GLN   17 - HA    ASN   69   7.76 +/- 1.30   2.089% *  0.9206% (0.34   0.02   0.02) =   0.022%
          HN    ALA   61 - HA    ASN   69  15.72 +/- 0.76   0.019% *  2.1611% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  21.30 +/- 0.73   0.003% *  2.6750% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  19.15 +/- 0.72   0.006% *  1.0129% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  26.55 +/- 0.57   0.001% *  1.9598% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  24.38 +/- 0.52   0.001% *  0.6009% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  14.85 +/- 1.37 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.50 A violated in 20 structures by 11.35 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.36, support = 0.0199, residual support = 0.0199:
        T QB    ALA   88 - HB2   SER   82  10.68 +/- 0.40   3.757% * 37.0886% (0.42 10.00   0.02   0.02) =  36.798%  kept
          QG2   THR   77 - HA    SER   48   6.70 +/- 0.97  55.937% *  1.9923% (0.23  1.00   0.02   0.02) =  29.427%  kept
          HG2   LYS+  99 - HA    VAL   70   8.46 +/- 0.96  17.980% *  3.6274% (0.41  1.00   0.02   0.02) =  17.222%  kept
          QG2   THR   77 - HB2   SER   82   9.61 +/- 0.61   7.573% *  4.2379% (0.48  1.00   0.02   0.02) =   8.474%  kept
          HG2   LYS+  38 - HA    VAL   70  11.22 +/- 0.41   2.689% *  4.6421% (0.53  1.00   0.02   0.02) =   3.296%  kept
          QG2   THR   23 - HB2   SER   82  10.10 +/- 1.23   7.251% *  0.9519% (0.11  1.00   0.02   0.02) =   1.822%  kept
        T QB    ALA   88 - HA    SER   48  16.42 +/- 0.87   0.267% * 17.4364% (0.20 10.00   0.02   0.02) =   1.228%  kept
          HB2   LEU   31 - HA    VAL   70  12.40 +/- 0.64   1.608% *  1.3614% (0.15  1.00   0.02   0.02) =   0.578%  kept
          QG2   THR   77 - HA    VAL   70  17.29 +/- 0.58   0.217% *  8.7452% (0.99  1.00   0.02   0.02) =   0.500%  kept
          QB    ALA   88 - HA    VAL   70  18.98 +/- 0.69   0.117% *  7.6536% (0.87  1.00   0.02   0.02) =   0.236%
          QG2   THR   23 - HA    SER   48  12.38 +/- 1.47   1.957% *  0.4475% (0.05  1.00   0.02   0.02) =   0.231%
          QG2   THR   23 - HA    VAL   70  18.08 +/- 0.96   0.170% *  1.9644% (0.22  1.00   0.02   0.02) =   0.088%
          HB2   LEU   31 - HB2   SER   82  16.85 +/- 1.18   0.260% *  0.6597% (0.07  1.00   0.02   0.02) =   0.045%
          HG2   LYS+ 111 - HA    VAL   70  23.54 +/- 2.47   0.047% *  1.7461% (0.20  1.00   0.02   0.02) =   0.022%
          HG2   LYS+ 111 - HA    SER   48  20.69 +/- 0.94   0.070% *  0.3978% (0.05  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HB2   SER   82  27.92 +/- 1.19   0.012% *  2.2495% (0.25  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  99 - HB2   SER   82  26.71 +/- 0.82   0.015% *  1.7578% (0.20  1.00   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HB2   SER   82  25.36 +/- 1.29   0.022% *  0.8462% (0.10  1.00   0.02   0.02) =   0.005%
          HB2   LEU   31 - HA    SER   48  22.85 +/- 1.09   0.038% *  0.3102% (0.04  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HA    SER   48  29.28 +/- 1.03   0.009% *  0.8264% (0.09  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HA    SER   48  32.21 +/- 1.16   0.005% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 19 structures by 2.63 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.18, residual support = 32.5:
      O   HN    LEU   71 - HA    VAL   70   2.29 +/- 0.03  99.994% * 99.7573% (0.87  10.0   5.18  32.52) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  12.94 +/- 1.37   0.004% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.44 +/- 0.67   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.35 +/- 1.20   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.17 +/- 1.15   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  23.75 +/- 0.83   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  17.63 +/- 1.49   0.001% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  22.97 +/- 0.95   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.73 +/- 1.06   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.22 +/- 1.05   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  21.69 +/- 1.68   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  28.39 +/- 1.39   0.000% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.966, support = 3.3, residual support = 40.2:
        T HZ    PHE   72 - HB    VAL   70   3.78 +/- 0.82  49.568% * 95.0244% (1.00 10.00   3.30  40.22) =  95.449%  kept
          QD    PHE   72 - HB    VAL   70   3.78 +/- 0.81  47.030% *  4.7738% (0.31  1.00   3.25  40.22) =   4.550%  kept
        T HZ    PHE   72 - QG    GLN   17   9.27 +/- 0.76   0.257% *  0.1765% (0.19 10.00   0.02   0.02) =   0.001%
          QD    PHE   72 - QG    GLN   17   6.30 +/- 0.65   3.098% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  12.90 +/- 0.92   0.030% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.53 +/- 0.84   0.018% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.95, residual support = 40.2:
          QE    PHE   72 - HB    VAL   70   2.39 +/- 0.68  99.463% * 98.8274% (0.73   3.95  40.22) =  99.999%  kept
          QE    PHE   72 - QG    GLN   17   7.47 +/- 0.85   0.491% *  0.0930% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  10.25 +/- 0.89   0.035% *  0.2586% (0.38   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  19.50 +/- 0.82   0.001% *  0.6519% (0.95   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  13.25 +/- 0.80   0.009% *  0.0480% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  16.88 +/- 0.70   0.002% *  0.1211% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 83.6:
      O   HN    VAL   70 - HB    VAL   70   2.79 +/- 0.31  99.848% * 99.9336% (0.76  10.0   4.63  83.58) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   8.61 +/- 0.97   0.150% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  21.92 +/- 0.68   0.001% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  18.04 +/- 0.93   0.002% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.17, residual support = 83.6:
          HN    VAL   70 - QG1   VAL   70   2.55 +/- 0.42  99.994% * 98.3905% (0.28   5.17  83.58) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.09 +/- 0.86   0.005% *  0.5136% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.47 +/- 0.73   0.001% *  1.0959% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.347, support = 1.42, residual support = 1.31:
          HN    VAL   42 - QG2   VAL   70   3.66 +/- 0.29  91.863% * 60.4075% (0.35   1.44   1.37) =  95.472%  kept
          HN    LEU   73 - QG2   VAL   70   5.77 +/- 0.38   6.822% * 38.3404% (0.35   0.91   0.02) =   4.500%  kept
          HN    ILE   19 - QG2   VAL   70   7.67 +/- 0.58   1.315% *  1.2521% (0.52   0.02   0.02) =   0.028%
    Distance limit 3.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.405, support = 5.34, residual support = 36.6:
        T HG    LEU   40 - QG2   VAL   70   2.89 +/- 0.75  34.181% * 69.5263% (0.54 10.00   6.30  36.65) =  58.578%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.58 +/- 0.87  58.652% * 28.6467% (0.22 10.00   3.99  36.65) =  41.415%  kept
          HG    LEU   67 - QG2   VAL   70   5.26 +/- 1.46   2.147% *  0.0691% (0.53  1.00   0.02   0.02) =   0.004%
          HB3   LEU   67 - QG2   VAL   70   4.97 +/- 1.89   4.610% *  0.0194% (0.15  1.00   0.02   0.02) =   0.002%
        T HG    LEU   73 - QG2   VAL   70   6.86 +/- 1.02   0.111% *  0.4508% (0.35 10.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QG2   VAL   70   7.54 +/- 1.29   0.269% *  0.0312% (0.24  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QG2   VAL   70  12.56 +/- 1.13   0.003% *  0.6953% (0.54 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  12.65 +/- 1.13   0.003% *  0.4508% (0.35 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.74 +/- 1.69   0.008% *  0.0451% (0.35  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.52 +/- 1.21   0.005% *  0.0533% (0.41  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.64 +/- 0.66   0.011% *  0.0122% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.412, support = 2.38, residual support = 40.2:
        T QD    PHE   72 - QG2   VAL   70   3.09 +/- 0.76  76.798% * 53.1587% (0.43 10.00   1.84  40.22) =  79.083%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.04 +/- 0.59  23.074% * 46.7974% (0.35 10.00   4.44  40.22) =  20.917%  kept
          QE    PHE   45 - QG2   VAL   70   9.50 +/- 0.54   0.129% *  0.0439% (0.33  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.14, residual support = 40.2:
          QE    PHE   72 - QG2   VAL   70   2.69 +/- 0.70  99.972% * 99.6637% (0.54   5.14  40.22) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  12.62 +/- 0.57   0.022% *  0.1323% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  15.74 +/- 0.39   0.005% *  0.2040% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.45, residual support = 32.5:
          HN    LEU   71 - QG2   VAL   70   2.29 +/- 0.21  99.975% * 99.3861% (0.51   6.45  32.52) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  11.85 +/- 1.56   0.008% *  0.0905% (0.15   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70  10.73 +/- 1.29   0.013% *  0.0441% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  13.75 +/- 0.98   0.003% *  0.1713% (0.28   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  15.45 +/- 0.97   0.001% *  0.3080% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.657, support = 2.78, residual support = 40.2:
        T HZ    PHE   72 - QG1   VAL   70   3.75 +/- 0.99  70.358% * 85.2072% (0.65 10.00   2.78  40.22) =  93.243%  kept
          QD    PHE   72 - QG1   VAL   70   4.43 +/- 0.70  29.525% * 14.7129% (0.80  1.00   2.79  40.22) =   6.756%  kept
          QE    PHE   45 - QG1   VAL   70  11.56 +/- 0.62   0.117% *  0.0799% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 2.12, residual support = 4.41:
          HA    VAL   41 - HB2   LEU   71   2.83 +/- 0.43  99.978% * 98.4940% (0.92   2.12   4.41) = 100.000%  kept
          HA    HIS  122 - HB2   LEU   71  15.13 +/- 3.96   0.008% *  0.9724% (0.97   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   LEU   71  13.16 +/- 0.38   0.012% *  0.3782% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  18.50 +/- 0.52   0.002% *  0.1555% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.35, residual support = 138.2:
      O   HN    LEU   71 - HB2   LEU   71   2.73 +/- 0.25  99.994% * 99.8011% (0.95  10.0   6.35 138.24) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  15.67 +/- 1.21   0.004% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  22.14 +/- 1.14   0.000% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  18.36 +/- 1.59   0.001% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  20.53 +/- 1.07   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.27, residual support = 138.2:
      O   HN    LEU   71 - HB3   LEU   71   2.65 +/- 0.62  99.993% * 99.8011% (0.95  10.0   6.27 138.24) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  16.32 +/- 1.24   0.005% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  23.04 +/- 1.06   0.000% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.16 +/- 1.65   0.002% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  21.32 +/- 1.01   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.94, residual support = 138.2:
      O   HB2   LEU   71 - HG    LEU   71   2.51 +/- 0.13  99.060% * 99.3720% (0.97  10.0   4.94 138.24) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.26 +/- 0.68   0.211% *  0.0501% (0.49   1.0   0.02   4.41) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   7.36 +/- 1.54   0.313% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.90 +/- 0.97   0.352% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  11.60 +/- 1.38   0.015% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.69 +/- 1.36   0.008% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  13.92 +/- 1.42   0.004% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  14.35 +/- 0.96   0.003% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  13.97 +/- 0.91   0.004% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  12.95 +/- 1.97   0.008% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  12.21 +/- 1.50   0.011% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.27 +/- 2.04   0.007% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  20.51 +/- 1.34   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  19.02 +/- 1.43   0.001% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  19.31 +/- 1.35   0.001% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  20.53 +/- 2.34   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.33 +/- 1.26   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.67 +/- 1.39   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.91 +/- 2.22   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.76 +/- 1.26   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.76, residual support = 138.2:
          HN    LEU   71 - QD2   LEU   71   3.53 +/- 0.33  99.884% * 99.7037% (0.87   6.76 138.24) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.69 +/- 0.71   0.108% *  0.0848% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.58 +/- 0.93   0.003% *  0.1655% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.92 +/- 0.78   0.005% *  0.0460% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.28, residual support = 19.5:
          HN    PHE   72 - QD2   LEU   71   3.19 +/- 0.45  99.969% * 99.5660% (0.73   5.28  19.54) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.64 +/- 0.53   0.031% *  0.4340% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.16, residual support = 40.1:
      O   HN    LEU   73 - HA    PHE   72   2.21 +/- 0.02  94.891% * 99.7786% (0.61  10.0   5.16  40.11) =  99.995%  kept
          HN    VAL   42 - HA    PHE   72   3.87 +/- 0.37   4.091% *  0.0998% (0.61   1.0   0.02   6.00) =   0.004%
          HN    ILE   19 - HA    PHE   72   4.80 +/- 0.44   1.016% *  0.0218% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  13.79 +/- 0.55   0.002% *  0.0998% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.13, residual support = 89.6:
      O   HN    PHE   72 - HA    PHE   72   2.93 +/- 0.01  99.980% * 99.9786% (0.71  10.0   5.13  89.61) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.14 +/- 0.45   0.020% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.381, support = 2.45, residual support = 39.6:
          HG    LEU   73 - HA    PHE   72   4.65 +/- 1.00  54.384% * 69.6092% (0.37   2.51  40.11) =  97.035%  kept
          HB3   LEU   67 - HA    PHE   72   7.53 +/- 1.18   3.090% * 22.8266% (0.66   0.46  34.71) =   1.808%  kept
          HG12  ILE   19 - HA    PHE   72   5.77 +/- 1.75  39.570% *  1.0985% (0.74   0.02   0.02) =   1.114%  kept
          HB3   LYS+  74 - HA    PHE   72   8.10 +/- 0.57   1.402% *  0.4680% (0.31   0.02   0.02) =   0.017%
          QB    ALA   61 - HA    PHE   72  10.03 +/- 0.64   0.376% *  1.0985% (0.74   0.02   0.02) =   0.011%
          QG    LYS+  66 - HA    PHE   72  11.01 +/- 1.58   0.403% *  0.7819% (0.52   0.02   0.26) =   0.008%
          QB    LEU   98 - HA    PHE   72   9.26 +/- 0.62   0.602% *  0.2253% (0.15   0.02   0.02) =   0.003%
          HG    LEU   80 - HA    PHE   72  13.50 +/- 0.77   0.061% *  1.1358% (0.76   0.02   0.02) =   0.002%
          QB    ALA  110 - HA    PHE   72  15.29 +/- 1.24   0.031% *  1.1282% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    PHE   72  14.40 +/- 0.90   0.041% *  0.6904% (0.46   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    PHE   72  16.69 +/- 2.46   0.022% *  0.5103% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  16.78 +/- 1.23   0.018% *  0.4272% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 1 structures by 0.47 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.59, residual support = 40.1:
          QD2   LEU   73 - HB2   PHE   72   4.15 +/- 0.09  96.410% * 98.9712% (0.82   5.59  40.11) =  99.996%  kept
          QG1   VAL   43 - HB2   PHE   72   8.11 +/- 0.73   2.291% *  0.0715% (0.17   0.02   0.02) =   0.002%
          QG1   VAL   41 - HB2   PHE   72   9.27 +/- 0.37   0.817% *  0.1232% (0.28   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   PHE   72  12.46 +/- 1.58   0.226% *  0.3485% (0.81   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   PHE   72  11.50 +/- 0.68   0.238% *  0.3238% (0.75   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   PHE   72  18.23 +/- 2.48   0.018% *  0.1619% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.48, residual support = 37.1:
        T QB    ALA   64 - HB2   PHE   72   4.39 +/- 0.83  99.894% * 99.9825% (0.84 10.00   2.48  37.09) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.75 +/- 0.55   0.106% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 8 structures by 0.86 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.684, support = 5.63, residual support = 36.3:
          QD2   LEU   73 - HB3   PHE   72   4.43 +/- 0.30  31.810% * 93.7308% (0.72   6.18  40.11) =  89.841%  kept
          QG2   VAL   18 - HB3   PHE   72   3.85 +/- 0.56  65.907% *  5.1086% (0.33   0.75   2.91) =  10.145%  kept
          QG1   VAL   43 - HB3   PHE   72   7.74 +/- 0.49   1.159% *  0.2202% (0.53   0.02   0.02) =   0.008%
          QG1   VAL   41 - HB3   PHE   72   9.46 +/- 0.37   0.328% *  0.2907% (0.69   0.02   0.02) =   0.003%
          QG2   THR   46 - HB3   PHE   72   8.96 +/- 0.82   0.534% *  0.1009% (0.24   0.02   0.02) =   0.002%
          HG    LEU   31 - HB3   PHE   72  11.50 +/- 0.71   0.110% *  0.3434% (0.82   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   PHE   72  11.59 +/- 1.55   0.151% *  0.2055% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.48, residual support = 37.1:
        T QB    ALA   64 - HB3   PHE   72   4.11 +/- 0.80  99.751% * 99.9693% (0.63 10.00   2.48  37.09) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  12.47 +/- 1.18   0.249% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 8 structures by 0.71 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 0.75, residual support = 2.91:
        T HA    VAL   18 - HB2   PHE   72   2.58 +/- 0.61  98.876% * 97.7542% (0.47 10.00   0.75   2.91) =  99.997%  kept
          HA    VAL   70 - HB2   PHE   72   7.47 +/- 0.44   0.327% *  0.4513% (0.82  1.00   0.02  40.22) =   0.002%
          HA1   GLY   16 - HB2   PHE   72   7.44 +/- 1.33   0.757% *  0.1280% (0.23  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB2   PHE   72  12.43 +/- 1.24   0.016% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  13.00 +/- 1.01   0.012% *  0.3519% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  14.30 +/- 0.44   0.007% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  17.07 +/- 1.15   0.003% *  0.4513% (0.82  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.84 +/- 1.00   0.002% *  0.0806% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  22.28 +/- 0.98   0.001% *  0.2241% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 1.42, residual support = 2.91:
          HA    VAL   18 - HB3   PHE   72   2.79 +/- 0.56  99.423% * 60.5333% (0.15  1.00   1.42   2.91) =  99.966%  kept
          HA1   GLY   16 - HB3   PHE   72   8.38 +/- 0.81   0.252% *  3.5293% (0.63  1.00   0.02   0.02) =   0.015%
          HA    VAL   70 - HB3   PHE   72   8.07 +/- 0.35   0.284% *  2.9479% (0.53  1.00   0.02  40.22) =   0.014%
        T HA    LYS+  33 - HB3   PHE   72  13.77 +/- 0.64   0.012% * 15.0012% (0.27 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB3   PHE   72  14.64 +/- 0.35   0.008% *  9.6185% (0.17 10.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB3   PHE   72  13.35 +/- 1.00   0.014% *  4.7641% (0.85  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   PHE   72  16.28 +/- 1.07   0.005% *  2.9479% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  21.63 +/- 0.98   0.001% *  0.6578% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.61, residual support = 89.6:
      O T QD    PHE   72 - HB3   PHE   72   2.45 +/- 0.18  99.389% * 99.0530% (0.87  10.0 10.00   4.61  89.61) = 100.000%  kept
        T QE    PHE   45 - HB3   PHE   72  10.05 +/- 0.62   0.022% *  0.9164% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.589% *  0.0306% (0.27   1.0  1.00   0.02  89.61) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.37, residual support = 89.6:
      O T QD    PHE   72 - HB2   PHE   72   2.55 +/- 0.13  99.266% * 99.8767% (0.83  10.0 10.00   4.37  89.61) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.713% *  0.0309% (0.26   1.0  1.00   0.02  89.61) =   0.000%
          QE    PHE   45 - HB2   PHE   72  10.80 +/- 1.00   0.021% *  0.0924% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 5.04, residual support = 89.6:
      O   HN    PHE   72 - HB2   PHE   72   2.47 +/- 0.49  99.993% * 99.9402% (0.79  10.0   5.04  89.61) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  14.75 +/- 0.76   0.007% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.939, support = 0.742, residual support = 8.03:
          HG3   GLN   30 - HA    LEU   73   4.36 +/- 0.78  67.597% * 50.6500% (0.99   0.74   8.04) =  72.817%  kept
          HB2   GLN   30 - HA    LEU   73   5.04 +/- 0.41  30.755% * 41.5238% (0.80   0.75   8.04) =  27.160%  kept
          HB2   GLN   17 - HA    LEU   73   9.14 +/- 0.51   0.825% *  0.6731% (0.49   0.02   0.02) =   0.012%
          QB    GLU-  15 - HA    LEU   73  10.21 +/- 0.82   0.464% *  0.6731% (0.49   0.02   0.02) =   0.007%
          HB3   GLU-  25 - HA    LEU   73  13.10 +/- 0.55   0.138% *  0.4268% (0.31   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    LEU   73  15.49 +/- 1.06   0.039% *  1.1995% (0.87   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    LEU   73  13.32 +/- 0.91   0.103% *  0.3079% (0.22   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    LEU   73  17.74 +/- 0.81   0.019% *  1.1995% (0.87   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   73  18.03 +/- 1.10   0.017% *  1.1073% (0.80   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU   73  17.21 +/- 1.23   0.022% *  0.7829% (0.57   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LEU   73  19.99 +/- 2.36   0.015% *  0.6731% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   73  21.77 +/- 1.43   0.005% *  0.7829% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.38 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.66, residual support = 40.9:
      O   HN    LYS+  74 - HA    LEU   73   2.32 +/- 0.10  99.980% * 99.6525% (0.69  10.0   5.66  40.88) = 100.000%  kept
          HN    THR   46 - HA    LEU   73   9.72 +/- 0.37   0.019% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.89 +/- 1.56   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  22.59 +/- 2.19   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.28 +/- 0.70   0.001% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.793, support = 6.35, residual support = 167.8:
      O   HN    LEU   73 - HA    LEU   73   2.94 +/- 0.00  64.070% * 97.6685% (0.80  10.0   6.41 169.82) =  98.805%  kept
          HN    ILE   19 - HA    LEU   73   3.31 +/- 0.43  35.397% *  2.1361% (0.18   1.0   2.00   4.00) =   1.194%  kept
          HN    VAL   42 - HA    LEU   73   6.56 +/- 0.35   0.532% *  0.0977% (0.80   1.0   0.02   1.80) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  16.64 +/- 0.45   0.002% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.19, residual support = 169.8:
      O   HN    LEU   73 - HB2   LEU   73   3.48 +/- 0.44  96.592% * 99.6355% (0.38  10.0   6.19 169.82) =  99.996%  kept
          HN    VAL   42 - HB2   LEU   73   6.18 +/- 0.63   3.397% *  0.0996% (0.38   1.0   0.02   1.80) =   0.004%
          HN    LYS+ 106 - HB2   LEU   73  15.90 +/- 0.90   0.012% *  0.2649% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.802, support = 1.99, residual support = 8.72:
          HA    VAL   43 - HB2   LEU   73   4.04 +/- 0.80  95.484% * 87.9403% (0.80  1.00   2.00   8.77) =  99.422%  kept
        T HA    HIS   22 - HB2   LEU   73   8.47 +/- 1.26   4.433% * 10.9831% (1.00 10.00   0.02   0.02) =   0.576%  kept
          HA    ASN   69 - HB2   LEU   73  13.94 +/- 0.35   0.083% *  1.0766% (0.98  1.00   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 2 structures by 0.40 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.45, residual support = 40.9:
          HN    LYS+  74 - HB3   LEU   73   3.52 +/- 0.53  99.944% * 97.4997% (0.25   5.45  40.88) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.07 +/- 0.38   0.052% *  0.5902% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.59 +/- 1.64   0.003% *  1.0972% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  23.93 +/- 2.64   0.001% *  0.8128% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.722, support = 5.54, residual support = 163.3:
          HN    LEU   73 - HG    LEU   73   3.40 +/- 0.77  34.577% * 74.6034% (0.80   5.69 169.82) =  85.884%  kept
          HN    ILE   19 - HG12  ILE   19   2.99 +/- 0.68  52.820% *  5.7463% (0.06   6.14 172.42) =  10.105%  kept
          HN    VAL   42 - HG    LEU   73   4.49 +/- 1.07   8.019% * 13.2353% (0.80   1.01   1.80) =   3.534%  kept
          HN    VAL   42 - HG    LEU   40   5.50 +/- 1.27   2.527% *  5.6041% (0.15   2.29   1.22) =   0.472%
          HN    LEU   73 - HG12  ILE   19   5.93 +/- 1.57   1.331% *  0.0856% (0.26   0.02   4.00) =   0.004%
          HN    ILE   19 - HG    LEU   73   6.13 +/- 0.38   0.445% *  0.0573% (0.18   0.02   4.00) =   0.001%
          HN    VAL   42 - HG12  ILE   19   7.96 +/- 1.62   0.177% *  0.0856% (0.26   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   40   9.29 +/- 1.08   0.044% *  0.0489% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.32 +/- 0.76   0.011% *  0.0489% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.52 +/- 1.20   0.002% *  0.2622% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.36 +/- 0.77   0.011% *  0.0319% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  10.76 +/- 1.06   0.017% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  13.77 +/- 0.90   0.004% *  0.0319% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.32 +/- 1.24   0.007% *  0.0107% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.36 +/- 1.71   0.000% *  0.0856% (0.26   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.16 +/- 0.64   0.005% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.18 +/- 0.72   0.000% *  0.0319% (0.10   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.51 +/- 1.40   0.002% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  16.53 +/- 1.25   0.001% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.72 +/- 1.53   0.001% *  0.0016% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.0827, support = 1.5, residual support = 1.28:
          HN    LEU   71 - HG    LEU   40   5.03 +/- 1.10  63.853% * 48.6204% (0.05   1.72   1.50) =  85.038%  kept
          HN    LEU   71 - HG    LEU   73   6.98 +/- 0.81  14.561% * 34.8348% (0.28   0.23   0.02) =  13.894%  kept
          HN    THR   26 - HG    LEU   73   9.88 +/- 1.48   1.958% *  9.0862% (0.84   0.02   0.02) =   0.487%
          HN    LEU   71 - HG12  ILE   19   7.79 +/- 1.72  12.232% *  0.9878% (0.09   0.02   0.02) =   0.331%
          HN    THR   26 - HG    LEU   80   7.72 +/- 0.59   6.714% *  1.1056% (0.10   0.02   0.02) =   0.203%
          HN    THR   26 - HG12  ILE   19  11.59 +/- 0.70   0.560% *  2.9674% (0.27   0.02   0.02) =   0.046%
          HN    THR   26 - HG    LEU   40  19.28 +/- 1.18   0.022% *  1.6940% (0.16   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU   80  17.11 +/- 0.72   0.052% *  0.3680% (0.03   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU  115  17.89 +/- 1.31   0.043% *  0.0839% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  26.29 +/- 1.66   0.004% *  0.2519% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 14 structures by 1.08 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.87, residual support = 167.2:
          HN    LEU   73 - QD2   LEU   73   2.84 +/- 0.39  86.873% * 89.0479% (0.38   7.98 169.82) =  98.424%  kept
          HN    VAL   42 - QD2   LEU   73   4.09 +/- 0.52  12.370% * 10.0039% (0.38   0.90   1.80) =   1.574%  kept
          HN    LYS+ 106 - HG3   LYS+ 121   7.95 +/- 3.75   0.741% *  0.2024% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QD2   LEU   73  13.85 +/- 0.74   0.008% *  0.5935% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  15.52 +/- 3.43   0.006% *  0.0761% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  17.47 +/- 2.44   0.003% *  0.0761% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.66, residual support = 40.9:
          HN    LYS+  74 - QD2   LEU   73   3.89 +/- 0.21  99.871% * 96.6814% (0.25   5.66  40.88) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  13.09 +/- 0.77   0.070% *  0.5637% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - QD2   LEU   73  17.63 +/- 2.43   0.018% *  0.7763% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.51 +/- 0.75   0.027% *  0.3573% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  19.34 +/- 1.47   0.008% *  1.0478% (0.76   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  21.34 +/- 1.84   0.004% *  0.1166% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.21 +/- 1.26   0.001% *  0.1922% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  35.31 +/- 4.24   0.000% *  0.2647% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.8, residual support = 187.6:
      O   HN    LYS+  74 - HB2   LYS+  74   2.78 +/- 0.40  99.924% * 99.3064% (0.20  10.0   5.80 187.60) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.63 +/- 0.76   0.074% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  20.55 +/- 1.46   0.001% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  25.12 +/- 2.11   0.000% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.27, residual support = 30.9:
          HN    VAL   75 - HB3   LYS+  74   4.09 +/- 0.25  99.483% * 98.4857% (0.41   4.28  30.93) =  99.995%  kept
          HN    ASP-  78 - HB3   LYS+  74   9.92 +/- 0.69   0.508% *  0.9721% (0.87   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HB3   LYS+  74  21.02 +/- 1.41   0.006% *  0.3459% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  25.44 +/- 2.46   0.003% *  0.1963% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 2 structures by 0.48 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.54, residual support = 30.9:
          HN    VAL   75 - HG2   LYS+  74   3.16 +/- 0.60  99.826% * 99.4947% (0.84   5.54  30.93) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.34 +/- 1.13   0.168% *  0.4218% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.51 +/- 0.77   0.004% *  0.0384% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.13 +/- 1.25   0.002% *  0.0451% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.335, residual support = 0.335:
          QG1   VAL   75 - HA    THR   77   3.53 +/- 0.16  99.981% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  15.34 +/- 1.46   0.019% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.13 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 36.0:
      O   HN    ASP-  78 - HB3   ASP-  78   2.43 +/- 0.42  99.970% * 99.9053% (0.95  10.0   3.95  35.97) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78   9.77 +/- 0.50   0.030% *  0.0947% (0.90   1.0   0.02   0.10) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.61, residual support = 36.0:
      O   HN    ASP-  78 - HB2   ASP-  78   2.85 +/- 0.49  99.941% * 99.9053% (0.95  10.0   4.61  35.97) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78  10.18 +/- 0.51   0.059% *  0.0947% (0.90   1.0   0.02   0.10) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 53.4:
      O T HB3   GLU-  79 - HA    GLU-  79   2.82 +/- 0.18  99.984% * 99.1581% (1.00  10.0 10.00   4.13  53.40) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  13.75 +/- 1.44   0.010% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  16.69 +/- 0.88   0.003% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  16.28 +/- 0.79   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  22.80 +/- 0.84   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  28.01 +/- 0.73   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.44, residual support = 53.4:
      O   QG    GLU-  79 - HB3   GLU-  79   2.31 +/- 0.14  99.994% * 99.5936% (0.98  10.0   3.44  53.40) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  13.94 +/- 1.18   0.003% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  17.23 +/- 1.57   0.001% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  15.08 +/- 0.68   0.001% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.83 +/- 1.01   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.17 +/- 0.86   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  22.21 +/- 2.07   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  19.35 +/- 0.75   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  26.93 +/- 2.33   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  22.98 +/- 1.24   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  26.57 +/- 0.98   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  26.67 +/- 0.85   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 2.44, residual support = 6.1:
          HB2   ASP-  76 - HB3   GLU-  79   3.19 +/- 0.61  91.734% * 43.4750% (1.00  1.00   2.29   5.16) =  89.941%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.33 +/- 0.85   8.165% * 54.6274% (0.76  1.00   3.76  14.49) =  10.059%  kept
        T HB2   ASN   28 - HB3   GLU-  79  13.24 +/- 1.04   0.033% *  0.6655% (0.18 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB2   GLN   90  13.28 +/- 1.90   0.033% *  0.1079% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB2   GLN   90  13.92 +/- 1.61   0.025% *  0.1409% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  17.98 +/- 1.95   0.005% *  0.0948% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  20.71 +/- 1.10   0.002% *  0.2473% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.06 +/- 0.98   0.000% *  0.3667% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.83 +/- 1.69   0.001% *  0.0752% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  30.31 +/- 0.85   0.000% *  0.1363% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  25.10 +/- 1.36   0.001% *  0.0352% (0.09  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  25.86 +/- 1.86   0.001% *  0.0279% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 53.4:
      O T HA    GLU-  79 - HB3   GLU-  79   2.82 +/- 0.18  95.184% * 98.8585% (0.80  10.0 10.00   4.13  53.40) =  99.999%  kept
          HA    SER   85 - HB2   GLN   90   5.50 +/- 0.90   2.873% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLN   90   7.52 +/- 1.90   1.668% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   7.98 +/- 0.38   0.220% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  13.75 +/- 1.44   0.009% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.66 +/- 0.76   0.015% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.13 +/- 0.61   0.011% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.12 +/- 1.08   0.002% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  15.43 +/- 2.15   0.005% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.94 +/- 1.59   0.002% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.86 +/- 0.92   0.008% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.52 +/- 1.69   0.001% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.31 +/- 1.05   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.62 +/- 0.89   0.001% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  18.57 +/- 0.66   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  23.04 +/- 1.65   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.71 +/- 0.73   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.00 +/- 1.55   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  30.14 +/- 3.51   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  39.78 +/- 3.32   0.000% *  0.0102% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 89.6:
      O T HA    GLN   90 - HB2   GLN   90   2.44 +/- 0.19  98.009% * 96.0605% (0.27  10.0 10.00   3.96  89.59) =  99.998%  kept
          HA    ALA   91 - HB2   GLN   90   5.28 +/- 0.57   1.939% *  0.0644% (0.18   1.0  1.00   0.02  32.54) =   0.001%
        T HA    GLN   90 - HB3   GLU-  79  12.30 +/- 1.28   0.012% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79   9.89 +/- 1.15   0.029% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  14.66 +/- 1.00   0.003% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.53 +/- 1.61   0.003% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  14.50 +/- 0.61   0.003% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.20 +/- 2.00   0.000% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.73 +/- 0.79   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.73 +/- 1.22   0.000% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.68 +/- 1.65   0.001% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  18.44 +/- 1.20   0.001% *  0.0368% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.975, support = 2.25, residual support = 6.07:
          HB2   ASP-  76 - HB2   GLU-  79   2.82 +/- 0.70  92.171% * 43.5625% (1.00   2.11   5.16) =  90.215%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.11 +/- 0.83   7.808% * 55.7796% (0.76   3.52  14.49) =   9.785%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.42 +/- 0.60   0.018% *  0.0726% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  18.03 +/- 1.62   0.003% *  0.1033% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  26.02 +/- 0.92   0.000% *  0.3999% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  24.72 +/- 1.60   0.000% *  0.0820% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.36, residual support = 48.6:
          HN    LEU   80 - HB2   GLU-  79   2.68 +/- 0.69  99.951% * 98.5125% (0.61   5.36  48.59) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.73 +/- 0.65   0.038% *  0.2949% (0.49   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  16.88 +/- 0.60   0.003% *  0.5254% (0.87   0.02   0.02) =   0.000%
          HN    CYSS  53 - HB2   GLU-  79  15.35 +/- 0.85   0.006% *  0.2273% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  18.99 +/- 0.65   0.002% *  0.4399% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.52, residual support = 48.6:
          HN    LEU   80 - HB3   GLU-  79   2.57 +/- 0.65  99.182% * 97.8979% (0.61   5.52  48.59) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   6.94 +/- 0.80   0.747% *  0.1058% (0.18   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79  10.69 +/- 0.63   0.030% *  0.2847% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  12.22 +/- 1.18   0.023% *  0.1318% (0.23   0.02   0.02) =   0.000%
          HN    CYSS  53 - HB3   GLU-  79  15.58 +/- 0.89   0.005% *  0.2196% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.75 +/- 1.12   0.002% *  0.5074% (0.87   0.02   0.02) =   0.000%
          HN    CYSS  53 - HB2   GLN   90  14.23 +/- 1.61   0.010% *  0.0816% (0.14   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  18.92 +/- 1.15   0.001% *  0.4248% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  23.21 +/- 0.95   0.000% *  0.1885% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  24.72 +/- 0.83   0.000% *  0.1578% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.58, residual support = 89.6:
      O   HN    GLN   90 - HB2   GLN   90   3.52 +/- 0.38  99.276% * 98.6230% (0.23  10.0   5.58  89.59) =  99.999%  kept
          HE1   HIS   22 - HB3   GLU-  79   9.23 +/- 1.10   0.484% *  0.0675% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB2   GLN   90  10.75 +/- 1.04   0.173% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB3   GLU-  79  13.74 +/- 1.26   0.052% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  18.28 +/- 1.43   0.006% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  19.34 +/- 1.04   0.004% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  23.11 +/- 1.00   0.001% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  21.54 +/- 2.58   0.004% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.13, residual support = 48.6:
          HN    LEU   80 - QG    GLU-  79   3.59 +/- 0.33  99.751% * 98.4457% (0.61   5.13  48.59) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79  10.28 +/- 0.43   0.194% *  0.3081% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  14.85 +/- 1.03   0.025% *  0.5490% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.02 +/- 0.96   0.011% *  0.4596% (0.73   0.02   0.02) =   0.000%
          HN    CYSS  53 - QG    GLU-  79  15.51 +/- 0.99   0.019% *  0.2375% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.49, residual support = 48.6:
      O   HN    LEU   80 - HA    GLU-  79   3.58 +/- 0.15  99.817% * 99.2120% (0.28  10.0   5.49  48.59) =  99.999%  kept
          HN    SER   85 - HA    GLU-  79  10.34 +/- 0.29   0.175% *  0.2980% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    GLU-  79  18.77 +/- 0.81   0.005% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  21.19 +/- 0.79   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.39 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.644, support = 4.32, residual support = 82.3:
      O   HB2   LEU   80 - QD2   LEU   80   2.42 +/- 0.41  34.697% * 71.2691% (0.87  10.0  1.00   3.98  82.34) =  57.511%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.10 +/- 0.02  65.186% * 28.0259% (0.34  10.0  1.00   4.77  82.34) =  42.488%  kept
        T HB3   LEU   73 - QD2   LEU   80   6.97 +/- 0.87   0.059% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80   7.22 +/- 0.81   0.046% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  11.53 +/- 0.79   0.002% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  10.94 +/- 1.20   0.004% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  11.93 +/- 0.94   0.002% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  13.43 +/- 1.33   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.25 +/- 1.20   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.43 +/- 2.14   0.000% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  14.24 +/- 1.16   0.001% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.75 +/- 1.55   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  18.93 +/- 1.64   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  18.25 +/- 0.99   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.52 +/- 1.91   0.000% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.922, support = 4.82, residual support = 46.1:
          HA    LEU   80 - QD2   LEU   80   3.28 +/- 0.76  42.087% * 48.6597% (0.87   5.97  82.34) =  52.119%  kept
          HA    THR   23 - QD2   LEU   80   3.17 +/- 0.50  53.990% * 33.6391% (0.99   3.61   6.67) =  46.221%  kept
          HB    THR   23 - QD2   LEU   80   4.85 +/- 0.50   3.732% * 17.4665% (0.73   2.56   6.67) =   1.659%  kept
          HA    ASP-  78 - QD2   LEU   80   7.79 +/- 0.58   0.189% *  0.1504% (0.80   0.02   2.86) =   0.001%
          HA    ASP- 105 - QD2   LEU   80  17.06 +/- 0.75   0.002% *  0.0842% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.497, support = 3.18, residual support = 13.1:
          HN    THR   23 - QD2   LEU   80   3.83 +/- 0.71  71.681% * 21.7351% (0.41   2.77   6.67) =  59.221%  kept
          HN    LYS+  81 - QD2   LEU   80   5.15 +/- 0.66  16.889% * 34.8867% (0.38   4.88  31.06) =  22.396%  kept
          HE3   TRP   27 - QD2   LEU   80   5.33 +/- 0.59  11.293% * 42.8251% (0.92   2.43  11.97) =  18.383%  kept
          QE    PHE   95 - QD2   LEU   80  11.07 +/- 1.04   0.123% *  0.1709% (0.45   0.02   0.02) =   0.001%
          QD    PHE   55 - QD2   LEU   80  17.39 +/- 0.77   0.007% *  0.3306% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  17.70 +/- 1.38   0.007% *  0.0516% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.1, residual support = 10.3:
          HN    VAL   24 - QD2   LEU   80   2.88 +/- 0.42  99.909% * 99.5364% (0.31   3.10  10.33) = 100.000%  kept
          HN    VAL   43 - QD2   LEU   80   9.98 +/- 0.80   0.091% *  0.4636% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.261, support = 4.02, residual support = 23.5:
          HN    LYS+  81 - QD1   LEU   80   4.23 +/- 0.48  37.570% * 65.8606% (0.24   5.24  31.06) =  68.467%  kept
          HN    THR   23 - QD1   LEU   80   4.13 +/- 1.01  50.369% * 20.3189% (0.27   1.48   6.67) =  28.319%  kept
          HE3   TRP   27 - QD1   LEU   80   6.66 +/- 1.38   9.923% * 11.6345% (0.60   0.38  11.97) =   3.194%  kept
          HE3   TRP   27 - QD2   LEU   98   7.02 +/- 0.72   1.730% *  0.3545% (0.34   0.02   0.02) =   0.017%
          QE    PHE   95 - QD2   LEU   98   9.99 +/- 0.98   0.217% *  0.1722% (0.17   0.02   0.02) =   0.001%
          QE    PHE   95 - QD1   LEU   80  11.62 +/- 1.34   0.084% *  0.3004% (0.29   0.02   0.02) =   0.001%
          HN    THR   23 - QD2   LEU   98  12.69 +/- 0.72   0.040% *  0.1579% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  17.50 +/- 1.12   0.006% *  0.5812% (0.56   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  14.47 +/- 0.83   0.019% *  0.1441% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.31 +/- 1.00   0.006% *  0.3331% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.32 +/- 0.87   0.031% *  0.0520% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  18.62 +/- 1.31   0.004% *  0.0907% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 4.75, residual support = 100.7:
          HN    LYS+  81 - QG    LYS+  81   2.32 +/- 0.43  99.934% * 98.5039% (0.87   4.75 100.71) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.66 +/- 1.19   0.040% *  0.1026% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  12.48 +/- 0.88   0.007% *  0.2144% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.79 +/- 0.75   0.003% *  0.2515% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  15.31 +/- 1.47   0.003% *  0.1204% (0.25   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  13.82 +/- 1.38   0.006% *  0.0553% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  17.53 +/- 0.81   0.001% *  0.1794% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.82 +/- 0.76   0.002% *  0.0472% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.35 +/- 0.88   0.000% *  0.1986% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.42 +/- 1.75   0.001% *  0.0395% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.41 +/- 1.06   0.001% *  0.0913% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  16.82 +/- 1.11   0.001% *  0.0310% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.33 +/- 0.90   0.001% *  0.0142% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  23.83 +/- 0.93   0.000% *  0.0647% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.74 +/- 1.16   0.000% *  0.0859% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 0.782, residual support = 1.56:
          HN    GLU-  79 - QG    LYS+  81   3.83 +/- 0.19  99.152% * 94.1408% (0.65   0.78   1.56) =  99.994%  kept
          HN    VAL   70 - HG2   LYS+  33  10.07 +/- 1.33   0.412% *  0.7327% (0.20   0.02   0.02) =   0.003%
          HN    THR   94 - QG    LYS+  81  11.51 +/- 1.09   0.171% *  0.9282% (0.25   0.02   0.02) =   0.002%
          HN    THR   94 - HG2   LYS+ 106  10.65 +/- 0.59   0.237% *  0.2042% (0.05   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+  33  20.36 +/- 0.86   0.005% *  1.1529% (0.31   0.02   0.02) =   0.000%
          HN    VAL   70 - HG2   LYS+ 106  17.79 +/- 0.71   0.011% *  0.3367% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.71 +/- 1.00   0.006% *  0.5298% (0.14   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.51 +/- 0.39   0.002% *  1.5303% (0.41   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.03 +/- 0.98   0.005% *  0.4444% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.23, residual support = 100.7:
      O   HN    LYS+  81 - QB    LYS+  81   2.40 +/- 0.22  98.658% * 99.1682% (0.38  10.0   5.23 100.71) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   5.53 +/- 0.72   1.281% *  0.0263% (0.10   1.0   0.02   0.13) =   0.000%
          HN    THR   23 - QB    LYS+  81  11.09 +/- 0.52   0.012% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  13.02 +/- 0.86   0.005% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52   9.49 +/- 1.19   0.039% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  14.47 +/- 1.01   0.003% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  18.48 +/- 1.09   0.001% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  18.25 +/- 1.09   0.001% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  20.84 +/- 0.82   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  24.70 +/- 0.88   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  21.71 +/- 1.09   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.96 +/- 1.09   0.000% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.31, residual support = 100.7:
      O   HN    LYS+  81 - HA    LYS+  81   2.81 +/- 0.04  99.982% * 99.8291% (0.87  10.0   5.31 100.71) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  12.67 +/- 0.85   0.013% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.89 +/- 0.95   0.003% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  19.06 +/- 1.01   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  25.62 +/- 1.04   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.888, support = 1.79, residual support = 5.59:
          HA    ASP-  78 - QG    LYS+  81   2.95 +/- 0.46  89.267% * 38.2263% (0.98   1.22   1.02) =  84.795%  kept
          HA    LEU   80 - QG    LYS+  81   4.44 +/- 0.44  10.212% * 59.8998% (0.38   4.99  31.06) =  15.201%  kept
          HA    THR   23 - QG    LYS+  81   8.43 +/- 0.69   0.281% *  0.4886% (0.76   0.02   0.02) =   0.003%
          HA    PHE   45 - QG    LYS+  81   9.19 +/- 0.37   0.130% *  0.0986% (0.15   0.02   0.02) =   0.000%
          HB    THR   23 - QG    LYS+  81  10.44 +/- 0.79   0.071% *  0.1594% (0.25   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  15.83 +/- 0.88   0.005% *  0.2339% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  15.16 +/- 1.47   0.008% *  0.0763% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  13.43 +/- 0.69   0.014% *  0.0217% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  19.04 +/- 0.96   0.002% *  0.1149% (0.18   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  16.53 +/- 0.87   0.004% *  0.0472% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  23.65 +/- 0.85   0.000% *  0.3000% (0.47   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  20.69 +/- 0.97   0.001% *  0.1379% (0.22   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  18.75 +/- 1.19   0.002% *  0.0528% (0.08   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  21.27 +/- 0.87   0.001% *  0.1075% (0.17   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  22.83 +/- 0.82   0.001% *  0.0351% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.43, residual support = 33.4:
      O   HN    SER   82 - HB3   SER   82   2.85 +/- 0.22 100.000% * 99.5254% (0.41  10.0   3.43  33.44) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  27.32 +/- 1.58   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  28.61 +/- 1.04   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 3.65, residual support = 16.0:
      O   HN    TRP   49 - HA    SER   48   3.58 +/- 0.04  39.018% * 85.5542% (0.40  10.0   3.62  15.61) =  85.868%  kept
          HN    VAL   83 - HB2   SER   82   3.46 +/- 0.18  48.667% * 10.4281% (0.24   1.0   4.10  20.17) =  13.055%  kept
          HN    CYSS  50 - HA    SER   48   4.39 +/- 0.28  12.164% *  3.4417% (0.36   1.0   0.90   0.02) =   1.077%  kept
          HE22  GLN   30 - HA    VAL   70  10.30 +/- 1.95   0.129% *  0.0241% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  17.04 +/- 0.96   0.004% *  0.1558% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYSS  50 - HB2   SER   82  17.99 +/- 0.94   0.003% *  0.1400% (0.65   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  18.11 +/- 2.45   0.004% *  0.0695% (0.32   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  15.05 +/- 1.08   0.008% *  0.0279% (0.13   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  19.10 +/- 2.48   0.004% *  0.0382% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYSS  50 - HA    VAL   70  24.55 +/- 0.58   0.000% *  0.0486% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  26.01 +/- 0.63   0.000% *  0.0541% (0.25   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  22.65 +/- 0.74   0.001% *  0.0177% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.04, residual support = 33.4:
      O   HN    SER   82 - HB2   SER   82   2.42 +/- 0.57  99.563% * 99.0159% (0.39  10.0   4.04  33.44) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   7.96 +/- 1.15   0.428% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  14.22 +/- 1.08   0.007% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  18.96 +/- 1.30   0.001% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  23.32 +/- 1.48   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  23.61 +/- 1.75   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  27.94 +/- 1.31   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  29.09 +/- 1.12   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.75 +/- 0.54   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.34, residual support = 43.0:
          HN    ALA   84 - HB    VAL   83   3.00 +/- 0.13  99.994% * 98.8153% (0.44   5.34  43.04) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  16.84 +/- 2.09   0.004% *  0.6816% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  20.66 +/- 0.96   0.001% *  0.3700% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  20.78 +/- 0.98   0.001% *  0.1331% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 87.3:
      O   HN    VAL   83 - HB    VAL   83   2.26 +/- 0.17  99.998% * 99.8243% (0.65  10.0   4.77  87.34) = 100.000%  kept
          HN    CYSS  50 - HB    VAL   83  15.85 +/- 0.78   0.001% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  15.50 +/- 0.70   0.001% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.952, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   6.57 +/- 0.90  85.613% * 31.7530% (0.96   0.02   0.02) =  87.180%  kept
          HD21  ASN   28 - HA    ALA   84   9.56 +/- 0.88  11.562% * 30.7120% (0.93   0.02   0.02) =  11.387%  kept
          QE    PHE   60 - HA    ALA   84  13.41 +/- 1.78   2.433% * 16.7431% (0.51   0.02   0.02) =   1.306%  kept
          HN    ILE   56 - HA    ALA   84  17.96 +/- 1.12   0.246% *  8.8482% (0.27   0.02   0.02) =   0.070%
          HN    LEU   63 - HA    ALA   84  19.75 +/- 0.53   0.147% * 11.9438% (0.36   0.02   0.02) =   0.056%
    Distance limit 3.45 A violated in 20 structures by 2.93 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.359, residual support = 0.616:
          QE    PHE   45 - HA    ALA   84   2.70 +/- 0.68  99.990% * 91.6000% (0.81   0.36   0.62) =  99.999%  kept
          QD    PHE   72 - HA    ALA   84  15.17 +/- 0.70   0.008% *  5.8906% (0.93   0.02   0.02) =   0.001%
          HZ    PHE   72 - HA    ALA   84  19.37 +/- 1.22   0.002% *  2.5094% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.3, residual support = 12.3:
          HB    ILE   89 - HA    ALA   84   2.56 +/- 0.34  99.997% * 98.3729% (0.91   1.30  12.31) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  15.58 +/- 1.66   0.002% *  0.7191% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  19.21 +/- 0.75   0.001% *  0.9080% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 3.38, residual support = 34.9:
          QG2   VAL   83 - HA    ALA   84   3.47 +/- 0.30  75.099% * 47.9054% (0.66   3.56  43.04) =  73.638%  kept
          QD1   ILE   89 - HA    ALA   84   4.28 +/- 0.36  24.769% * 51.9968% (0.89   2.87  12.31) =  26.361%  kept
          QD2   LEU   31 - HA    ALA   84  10.20 +/- 0.74   0.132% *  0.0978% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.7, residual support = 12.3:
          HG13  ILE   89 - HA    ALA   84   3.50 +/- 1.15 100.000% *100.0000% (0.55   2.70  12.31) = 100.000%  kept
    Distance limit 3.77 A violated in 5 structures by 0.40 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.756, support = 3.69, residual support = 30.4:
          QG2   VAL   83 - QB    ALA   84   4.12 +/- 0.33  62.187% * 46.0321% (0.66  1.00   3.92  43.04) =  58.978%  kept
          QD1   ILE   89 - QB    ALA   84   4.56 +/- 0.35  37.481% * 53.1144% (0.89  1.00   3.36  12.31) =  41.016%  kept
        T QD2   LEU   31 - QB    ALA   84   9.92 +/- 0.62   0.332% *  0.8536% (0.24 10.00   0.02   0.02) =   0.006%
    Distance limit 3.78 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.62, residual support = 12.3:
          HG13  ILE   89 - QB    ALA   84   4.22 +/- 0.90 100.000% *100.0000% (0.55   3.62  12.31) = 100.000%  kept
    Distance limit 3.70 A violated in 5 structures by 0.59 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 0.257, residual support = 0.616:
          QD    PHE   45 - QB    ALA   84   3.32 +/- 0.61  99.991% * 97.2169% (0.87   0.26   0.62) = 100.000%  kept
          HD2   HIS  122 - QB    ALA   84  17.68 +/- 1.08   0.007% *  1.4796% (0.17   0.02   0.02) =   0.000%
          HE22  GLN  116 - QB    ALA   84  21.33 +/- 2.20   0.002% *  1.3035% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.696, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  10.37 +/- 0.54  76.405% * 28.9138% (0.59   0.02   0.02) =  67.387%  kept
          HE22  GLN   30 - QB    ALA   84  13.44 +/- 1.94  22.814% * 46.0056% (0.93   0.02   0.02) =  32.016%  kept
          HD22  ASN   69 - QB    ALA   84  22.39 +/- 0.67   0.781% * 25.0806% (0.51   0.02   0.02) =   0.598%  kept
    Distance limit 4.13 A violated in 20 structures by 5.71 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.2:
      O   HN    SER   85 - QB    SER   85   2.17 +/- 0.04  99.985% * 99.7822% (0.99  10.0   3.15  18.15) = 100.000%  kept
          HN    THR   94 - QB    SER   85  12.27 +/- 0.95   0.003% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER   48  13.44 +/- 1.04   0.002% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  17.49 +/- 0.75   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.45 +/- 0.64   0.005% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.96 +/- 1.38   0.003% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  19.73 +/- 0.51   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  21.97 +/- 0.98   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  21.44 +/- 0.85   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.06 +/- 1.19   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.07 +/- 1.02   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.26 +/- 1.21   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   2.99 +/- 0.04  99.901% * 97.6196% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  15.58 +/- 0.61   0.005% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  16.14 +/- 0.51   0.004% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.30 +/- 0.92   0.072% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  15.21 +/- 1.02   0.006% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.13 +/- 1.19   0.002% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  18.86 +/- 1.13   0.002% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.24 +/- 0.77   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  17.28 +/- 1.45   0.003% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  22.70 +/- 2.60   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  22.63 +/- 0.43   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.68 +/- 0.86   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  25.55 +/- 0.89   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  27.97 +/- 1.33   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  20.07 +/- 1.30   0.001% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  25.65 +/- 1.82   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  23.39 +/- 1.17   0.000% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  26.84 +/- 1.49   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.1:
      O   HN    SER  117 - QB    SER  117   2.19 +/- 0.18  99.999% * 98.5738% (0.12  10.0   2.79  15.09) = 100.000%  kept
          HN    SER  117 - QB    SER   85  22.68 +/- 1.18   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  25.45 +/- 0.85   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  22.38 +/- 1.66   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  21.20 +/- 1.22   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  22.58 +/- 1.36   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.2:
      O   HN    SER   85 - HA    SER   85   2.80 +/- 0.03  99.979% * 99.8725% (0.99  10.0   3.65  18.15) = 100.000%  kept
          HN    THR   94 - HA    SER   85  11.84 +/- 1.10   0.020% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  19.34 +/- 0.79   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  21.40 +/- 0.56   0.001% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.9:
      O   HN    ASP-  86 - HB3   ASP-  86   2.96 +/- 0.64  99.942% * 99.6620% (0.95  10.0   3.56  41.91) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  13.48 +/- 0.63   0.021% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  12.92 +/- 0.70   0.024% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  16.11 +/- 1.60   0.011% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  22.57 +/- 4.22   0.002% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  27.14 +/- 1.72   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.06, residual support = 41.9:
      O   HN    ASP-  86 - HB2   ASP-  86   2.60 +/- 0.12  99.982% * 99.2641% (0.49  10.0   5.06  41.91) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  12.97 +/- 0.51   0.007% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  15.55 +/- 1.00   0.002% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  12.63 +/- 0.61   0.008% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  21.48 +/- 4.00   0.001% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  26.39 +/- 1.59   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.449, support = 3.6, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.63 +/- 0.37  77.363% * 37.6710% (0.38   3.60  22.51) =  68.212%  kept
          HE3   TRP   87 - HB2   ASP-  86   4.70 +/- 0.43  22.433% * 60.5363% (0.61   3.58  22.51) =  31.785%  kept
          HN    ALA   91 - HB2   ASP-  86  11.07 +/- 0.39   0.102% *  0.5268% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  11.10 +/- 0.48   0.098% *  0.5374% (0.97   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  22.33 +/- 1.01   0.002% *  0.4994% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  20.02 +/- 0.66   0.003% *  0.2289% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.7:
        T HA    VAL   83 - HB2   ASP-  86   3.17 +/- 0.48  99.084% * 98.2344% (0.22 10.00   2.25  10.73) =  99.998%  kept
          HB3   SER   82 - HB2   ASP-  86   7.09 +/- 0.96   0.893% *  0.1814% (0.41  1.00   0.02   0.02) =   0.002%
          HA    GLN   30 - HB2   ASP-  86  15.32 +/- 0.53   0.010% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HB2   ASP-  86  18.89 +/- 0.94   0.003% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  20.21 +/- 1.25   0.002% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  17.50 +/- 0.85   0.005% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  19.62 +/- 0.95   0.002% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  24.63 +/- 1.51   0.001% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  25.98 +/- 1.62   0.000% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.9:
      O   HN    ASP-  86 - HA    ASP-  86   2.72 +/- 0.01  99.992% * 99.2641% (0.49  10.0   4.05  41.91) = 100.000%  kept
          HN    LYS+  99 - HA    ASP-  86  17.15 +/- 1.05   0.002% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    ASP-  86  15.71 +/- 0.58   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  15.15 +/- 0.71   0.004% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  23.52 +/- 4.00   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  29.30 +/- 1.62   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.57, residual support = 70.4:
          HE3   TRP   87 - HA    TRP   87   3.18 +/- 0.16  99.843% * 98.5852% (0.99   3.57  70.42) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.60 +/- 0.40   0.143% *  0.4833% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  14.38 +/- 0.63   0.013% *  0.2931% (0.53   0.02   6.06) =   0.000%
          HN    ALA   61 - HA    TRP   87  21.75 +/- 1.02   0.001% *  0.5143% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  23.89 +/- 0.87   0.001% *  0.1240% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 70.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.51 +/- 0.06  99.956% * 99.7445% (0.99  10.0   3.26  70.42) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.36 +/- 0.26   0.038% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  13.33 +/- 0.77   0.005% *  0.0529% (0.53   1.0   0.02   6.06) =   0.000%
          HN    ALA   61 - HB2   TRP   87  19.71 +/- 1.04   0.000% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  21.80 +/- 0.89   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 70.4:
      O   HE3   TRP   87 - HB3   TRP   87   4.05 +/- 0.03  97.949% * 99.7445% (0.99  10.0   3.26  70.42) =  99.998%  kept
          HN    ALA   91 - HB3   TRP   87   7.81 +/- 0.27   1.951% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   TRP   87  13.19 +/- 0.67   0.087% *  0.0529% (0.53   1.0   0.02   6.06) =   0.000%
          HN    ALA   61 - HB3   TRP   87  19.01 +/- 0.95   0.010% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  21.77 +/- 0.81   0.004% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 2 structures by 0.86 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 2.01, residual support = 17.7:
          QD1   ILE   89 - HB2   TRP   87   3.08 +/- 0.25  97.481% * 57.6047% (0.90   2.03  17.88) =  98.297%  kept
          QG2   VAL   83 - HB2   TRP   87   5.81 +/- 0.29   2.317% * 41.9351% (1.00   1.32   9.48) =   1.701%  kept
          QD2   LEU   31 - HB2   TRP   87   8.96 +/- 0.53   0.202% *  0.4602% (0.73   0.02   1.92) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.6, residual support = 17.9:
        T QD1   ILE   89 - HB3   TRP   87   1.98 +/- 0.14  99.599% * 99.8495% (0.45 10.00   3.60  17.88) = 100.000%  kept
          QG2   VAL   83 - HB3   TRP   87   5.39 +/- 0.48   0.324% *  0.0496% (0.22  1.00   0.02   9.48) =   0.000%
          QG2   VAL   75 - HB3   TRP   87   6.86 +/- 0.53   0.073% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  10.94 +/- 0.66   0.004% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 17.9:
          HG12  ILE   89 - HB3   TRP   87   2.38 +/- 0.78  99.777% * 54.8868% (0.22   0.75  17.88) =  99.978%  kept
          QB    ALA   91 - HB3   TRP   87   8.51 +/- 0.36   0.170% *  5.7027% (0.87   0.02   0.02) =   0.018%
          HG2   LYS+  74 - HB3   TRP   87  13.26 +/- 0.52   0.014% *  5.8960% (0.90   0.02   0.02) =   0.002%
          QB    ALA   34 - HB3   TRP   87  12.89 +/- 0.41   0.015% *  1.6393% (0.25   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  16.03 +/- 0.76   0.004% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  16.72 +/- 0.94   0.004% *  5.7027% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB3   TRP   87  13.62 +/- 2.50   0.008% *  2.7027% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  18.33 +/- 0.77   0.002% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  17.63 +/- 0.63   0.002% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  16.86 +/- 0.94   0.003% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  21.53 +/- 1.13   0.001% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.3:
      O   HN    ALA   88 - HA    ALA   88   2.22 +/- 0.01  99.999% * 99.0353% (0.38  10.0   1.63  11.31) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  18.14 +/- 0.48   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  20.48 +/- 1.26   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  20.04 +/- 0.88   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  23.96 +/- 0.62   0.000% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.89, residual support = 11.3:
      O   HN    ALA   88 - QB    ALA   88   2.90 +/- 0.06  99.989% * 99.1650% (0.38  10.0   1.89  11.31) = 100.000%  kept
          HN    LEU   31 - QB    ALA   88  15.43 +/- 0.53   0.005% *  0.2427% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   88  17.08 +/- 1.17   0.003% *  0.2427% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  16.98 +/- 0.80   0.003% *  0.1255% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  19.60 +/- 0.61   0.001% *  0.2241% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 213.9:
          QD1   ILE   89 - HA    ILE   89   2.54 +/- 0.59  99.401% * 99.6619% (0.92   5.98 213.94) =  99.999%  kept
          QG2   VAL   83 - HA    ILE   89   7.51 +/- 0.56   0.584% *  0.2481% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    ILE   89  12.43 +/- 0.48   0.015% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.19, residual support = 37.0:
      O   HN    GLN   90 - HA    ILE   89   2.49 +/- 0.27  99.780% * 99.8365% (0.99  10.0   6.19  37.03) = 100.000%  kept
          HN    GLY  109 - HA    ILE   89   8.21 +/- 1.02   0.200% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ILE   89  10.98 +/- 0.31   0.017% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  14.73 +/- 0.80   0.003% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 213.9:
      O   HN    ILE   89 - HA    ILE   89   2.79 +/- 0.14  99.994% * 99.6601% (0.76  10.0   6.00 213.94) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  15.70 +/- 0.66   0.003% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  17.25 +/- 0.96   0.002% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  24.34 +/- 0.48   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  20.83 +/- 0.63   0.001% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 2.47, residual support = 8.08:
          HN    ALA   91 - HA    ILE   89   3.39 +/- 0.26  93.285% * 81.4314% (0.95   2.49   7.95) =  98.648%  kept
          HD1   TRP   87 - HA    ILE   89   5.34 +/- 0.37   6.271% * 16.5765% (0.38   1.28  17.88) =   1.350%  kept
          HE3   TRP   87 - HA    ILE   89   8.46 +/- 0.16   0.429% *  0.4196% (0.61   0.02  17.88) =   0.002%
          HN    TRP   27 - HA    ILE   89  15.79 +/- 0.54   0.010% *  0.6676% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  18.26 +/- 0.83   0.004% *  0.6204% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  22.95 +/- 0.39   0.001% *  0.2844% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 213.9:
      O T QD1   ILE   89 - HB    ILE   89   2.90 +/- 0.49  88.548% * 99.6065% (0.74  10.0 10.00   5.31 213.94) =  99.981%  kept
        T QD1   ILE   89 - HB    VAL   43   4.67 +/- 0.34   6.088% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.015%
          QG2   VAL   83 - HB    ILE   89   5.27 +/- 0.66   2.774% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU   31 - HB    VAL   43   5.84 +/- 0.39   1.853% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   6.85 +/- 0.91   0.697% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  10.96 +/- 0.64   0.039% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 213.9:
      O T HG13  ILE   89 - HB    ILE   89   2.52 +/- 0.22  99.468% * 99.7821% (0.78  10.0 10.00   4.97 213.94) =  99.999%  kept
        T HG13  ILE   89 - HB    VAL   43   6.24 +/- 0.63   0.532% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 213.9:
      O   HN    ILE   89 - HB    ILE   89   2.51 +/- 0.30  99.890% * 99.5645% (0.61  10.0   5.57 213.94) = 100.000%  kept
          HN    ILE   89 - HB    VAL   43   8.95 +/- 0.49   0.059% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    VAL   43  10.39 +/- 0.70   0.030% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  13.56 +/- 0.73   0.005% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.56 +/- 1.65   0.005% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  18.65 +/- 0.62   0.001% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  12.83 +/- 0.60   0.008% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.85 +/- 0.47   0.002% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  18.98 +/- 0.69   0.001% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  23.00 +/- 0.58   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   8.46 +/- 0.39 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.47 A violated in 20 structures by 5.00 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.745, residual support = 17.9:
          HD1   TRP   87 - QG2   ILE   89   3.97 +/- 0.09  99.745% * 92.1279% (0.95   0.75  17.88) =  99.997%  kept
          HN    TRP   27 - QG2   ILE   89  11.33 +/- 0.59   0.199% *  0.8918% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 102 - QG2   ILE   89  15.04 +/- 0.55   0.035% *  2.0935% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   ILE   89  18.15 +/- 0.41   0.011% *  2.4135% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  18.71 +/- 0.48   0.009% *  2.4732% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.04, residual support = 37.0:
          HN    GLN   90 - QG2   ILE   89   3.12 +/- 0.85  99.364% * 99.1656% (0.61   7.04  37.03) =  99.997%  kept
          HN    SER   82 - QG2   ILE   89   8.18 +/- 0.41   0.573% *  0.4286% (0.92   0.02   0.02) =   0.002%
          HN    ILE  103 - QG2   ILE   89  12.94 +/- 0.67   0.040% *  0.1909% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  14.77 +/- 1.04   0.019% *  0.0716% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  18.46 +/- 0.72   0.005% *  0.1433% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 12.1:
        T HB2   PHE   45 - QG2   ILE   89   3.04 +/- 0.49  99.866% * 99.5807% (0.97 10.00   0.75  12.06) = 100.000%  kept
          HB2   CYS   21 - QG2   ILE   89  10.19 +/- 1.36   0.099% *  0.1448% (0.53  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QG2   ILE   89  11.88 +/- 1.23   0.035% *  0.2745% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.338, support = 3.8, residual support = 25.1:
          QG    GLN   90 - QG2   ILE   89   4.51 +/- 0.52  29.478% * 76.9144% (0.15   5.49  37.03) =  67.802%  kept
          HG2   MET   92 - QG2   ILE   89   3.72 +/- 1.04  68.772% * 15.6395% (0.73   0.24   0.02) =  32.164%  kept
          HB2   GLU-  79 - QG2   ILE   89   9.03 +/- 0.80   0.367% *  1.0288% (0.57   0.02   0.02) =   0.011%
          HB2   ASP-  44 - QG2   ILE   89   7.95 +/- 0.47   0.739% *  0.5052% (0.28   0.02   0.02) =   0.011%
          QG    GLU- 114 - QG2   ILE   89  10.35 +/- 1.03   0.155% *  1.1755% (0.65   0.02   0.02) =   0.005%
          HG2   PRO   52 - QG2   ILE   89   8.56 +/- 1.16   0.429% *  0.4046% (0.22   0.02   0.02) =   0.005%
          HB3   PHE   72 - QG2   ILE   89  12.21 +/- 0.63   0.049% *  0.3596% (0.20   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE   89  17.81 +/- 1.28   0.005% *  0.6820% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  21.29 +/- 0.53   0.002% *  1.3195% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  18.67 +/- 1.18   0.004% *  0.4531% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  25.53 +/- 1.77   0.001% *  1.5178% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 12.1:
        T HB3   PHE   45 - QG2   ILE   89   3.03 +/- 0.43  98.606% * 97.9151% (0.49 10.00   0.75  12.06) =  99.996%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.91 +/- 0.43   0.417% *  0.5364% (1.00  1.00   0.02   0.02) =   0.002%
          HG3   MET   96 - QG2   ILE   89   7.34 +/- 0.59   0.712% *  0.1830% (0.34  1.00   0.02   5.99) =   0.001%
          HB    VAL  107 - QG2   ILE   89   8.65 +/- 0.65   0.234% *  0.0828% (0.15  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG2   ILE   89  13.48 +/- 1.34   0.018% *  0.2611% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  15.23 +/- 0.56   0.008% *  0.4100% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  16.49 +/- 0.61   0.005% *  0.5177% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  20.92 +/- 0.93   0.001% *  0.0939% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.479, support = 2.01, residual support = 12.1:
          QB    ALA   84 - QG2   ILE   89   2.80 +/- 0.38  95.247% * 34.1664% (0.49   1.87  12.31) =  95.622%  kept
          QB    ALA   88 - QG2   ILE   89   5.34 +/- 0.11   2.466% * 59.8550% (0.31   5.16   7.36) =   4.336%  kept
          HB3   LEU   80 - QG2   ILE   89   6.18 +/- 0.49   1.166% *  0.7451% (0.99   0.02   0.02) =   0.026%
          HB3   ASP-  44 - QG2   ILE   89   7.47 +/- 0.52   0.419% *  0.6521% (0.87   0.02   0.02) =   0.008%
          HB3   PRO   93 - QG2   ILE   89   6.96 +/- 0.80   0.599% *  0.3370% (0.45   0.02   0.02) =   0.006%
          HG    LEU   98 - QG2   ILE   89  10.48 +/- 0.95   0.053% *  0.4560% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QG2   ILE   89  11.97 +/- 0.97   0.020% *  0.7255% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   ILE   89  12.77 +/- 0.60   0.015% *  0.7111% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   31 - QG2   ILE   89  13.08 +/- 0.62   0.011% *  0.7451% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  17.10 +/- 0.46   0.002% *  0.5745% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  19.11 +/- 0.94   0.001% *  0.5459% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  20.54 +/- 0.46   0.001% *  0.4863% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.64, residual support = 213.9:
      O T HG13  ILE   89 - QG2   ILE   89   2.40 +/- 0.21 100.000% *100.0000% (0.98  10.0 10.00   5.64 213.94) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 6.26, residual support = 213.9:
        T QD1   ILE   89 - QG2   ILE   89   2.12 +/- 0.37  97.434% * 99.2348% (0.92 10.00   6.26 213.94) =  99.981%  kept
        T QG2   VAL   83 - QG2   ILE   89   5.31 +/- 0.81   2.543% *  0.7384% (0.69 10.00   0.02   0.02) =   0.019%
          QD2   LEU   31 - QG2   ILE   89   9.27 +/- 0.45   0.023% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.45, residual support = 213.9:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.02  99.651% * 99.4549% (0.92  10.0 10.00   5.45 213.94) = 100.000%  kept
          QG2   VAL   83 - HG12  ILE   89   5.72 +/- 0.67   0.332% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HG3   LYS+  99  14.79 +/- 0.36   0.001% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  10.54 +/- 0.74   0.008% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  10.66 +/- 1.12   0.008% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  16.69 +/- 0.65   0.000% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.11, residual support = 213.9:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.11 213.94) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  18.88 +/- 0.64   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 213.9:
      O T QD1   ILE   89 - HG13  ILE   89   2.13 +/- 0.02  99.426% * 99.8079% (0.90  10.0 10.00   5.27 213.94) =  99.999%  kept
          QG2   VAL   83 - HG13  ILE   89   5.27 +/- 0.65   0.561% *  0.1113% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG13  ILE   89   9.74 +/- 0.86   0.013% *  0.0808% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.64, residual support = 213.9:
      O T QG2   ILE   89 - HG13  ILE   89   2.40 +/- 0.21  99.853% * 99.9734% (0.84  10.0 10.00   5.64 213.94) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   7.61 +/- 0.71   0.147% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 213.9:
      O T HB    ILE   89 - HG13  ILE   89   2.52 +/- 0.22  99.446% * 98.8208% (0.49  10.0 10.00   4.97 213.94) =  99.995%  kept
        T HB    VAL   43 - HG13  ILE   89   6.24 +/- 0.63   0.532% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          QD    LYS+  81 - HG13  ILE   89  10.76 +/- 1.12   0.020% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  17.04 +/- 0.58   0.001% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  16.83 +/- 0.65   0.001% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 213.9:
          HN    ILE   89 - HG13  ILE   89   3.54 +/- 0.47  99.927% * 98.7792% (0.76   5.52 213.94) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  12.86 +/- 0.82   0.053% *  0.4200% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  17.13 +/- 0.65   0.011% *  0.4430% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  17.60 +/- 1.09   0.007% *  0.0927% (0.20   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  21.34 +/- 0.83   0.002% *  0.2651% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 213.9:
          HN    ILE   89 - HG12  ILE   89   2.24 +/- 0.55  99.972% * 98.2130% (0.76   5.72 213.94) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  10.86 +/- 1.21   0.017% *  0.1032% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  14.41 +/- 0.67   0.003% *  0.4033% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  17.65 +/- 0.75   0.001% *  0.4254% (0.95   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  16.84 +/- 3.26   0.001% *  0.1725% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  13.84 +/- 1.21   0.004% *  0.0361% (0.08   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  20.52 +/- 1.02   0.000% *  0.1636% (0.36   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  20.65 +/- 0.57   0.000% *  0.1394% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  22.11 +/- 0.70   0.000% *  0.2546% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  18.51 +/- 0.96   0.001% *  0.0890% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 213.9:
      O T HG13  ILE   89 - QD1   ILE   89   2.13 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.27 213.94) = 100.000%  kept
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.26, residual support = 213.9:
        T QG2   ILE   89 - QD1   ILE   89   2.12 +/- 0.37  99.794% * 99.7342% (0.84 10.00   6.26 213.94) =  99.999%  kept
        T QG1   VAL   83 - QD1   ILE   89   7.26 +/- 0.79   0.206% *  0.2658% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.45, residual support = 213.9:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.02  99.979% * 99.2664% (1.00  10.0 10.00   5.45 213.94) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89   9.80 +/- 0.52   0.012% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  14.79 +/- 0.36   0.001% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  12.18 +/- 0.86   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  13.84 +/- 0.85   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  13.32 +/- 0.55   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  14.76 +/- 0.82   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  16.03 +/- 1.38   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 5.31, residual support = 213.8:
      O T HB    ILE   89 - QD1   ILE   89   2.90 +/- 0.49  93.397% * 98.8208% (0.49  10.0 10.00   5.31 213.94) =  99.930%  kept
        T HB    VAL   43 - QD1   ILE   89   4.67 +/- 0.34   6.489% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.069%
          QD    LYS+  81 - QD1   ILE   89  10.11 +/- 0.79   0.086% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  13.17 +/- 0.40   0.014% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  13.02 +/- 0.43   0.015% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 5.99:
        T HB3   MET   96 - QD1   ILE   89   3.29 +/- 0.20  99.938% * 99.2551% (0.53 10.00   1.50   5.99) = 100.000%  kept
          HB2   LEU   40 - QD1   ILE   89  13.69 +/- 0.71   0.021% *  0.2256% (0.90  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   ILE   89  14.20 +/- 0.63   0.017% *  0.1526% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   ILE   89  15.37 +/- 0.81   0.011% *  0.2182% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   ILE   89  15.80 +/- 1.82   0.011% *  0.0858% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   ILE   89  20.50 +/- 1.07   0.002% *  0.0627% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.6, residual support = 17.9:
        T HB3   TRP   87 - QD1   ILE   89   1.98 +/- 0.14  99.175% * 99.8369% (0.76 10.00   3.60  17.88) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89   4.78 +/- 0.56   0.825% *  0.0177% (0.14  1.00   0.02   5.99) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  16.48 +/- 1.42   0.000% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  19.42 +/- 0.75   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.47, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  11.64 +/- 0.92  44.532% * 62.4025% (0.57   0.02   0.02) =  57.128%  kept
          HB    THR  118 - QD1   ILE   89  11.24 +/- 1.41  55.468% * 37.5975% (0.34   0.02   0.02) =  42.872%  kept
    Distance limit 2.88 A violated in 20 structures by 7.22 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.04, residual support = 12.1:
          QD    PHE   45 - QD1   ILE   89   3.65 +/- 0.39  99.914% * 95.1917% (0.45   2.04  12.06) =  99.998%  kept
          HD2   HIS  122 - QD1   ILE   89  13.09 +/- 1.89   0.067% *  2.0609% (0.99   0.02   0.02) =   0.001%
          HE22  GLN  116 - QD1   ILE   89  17.38 +/- 1.42   0.013% *  2.0381% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  19.38 +/- 1.25   0.005% *  0.7093% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.914, support = 2.29, residual support = 17.9:
          HN    TRP   87 - QD1   ILE   89   4.17 +/- 0.16  75.294% * 79.1351% (0.97   2.31  17.88) =  92.532%  kept
          HE3   TRP   87 - QD1   ILE   89   5.06 +/- 0.31  24.679% * 19.4859% (0.28   1.98  17.88) =   7.468%  kept
          HN    GLN   17 - QD1   ILE   89  17.32 +/- 0.71   0.015% *  0.7086% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  18.08 +/- 0.93   0.012% *  0.6703% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 213.9:
          HN    ILE   89 - QD1   ILE   89   3.04 +/- 0.35  99.919% * 98.8553% (0.76   5.89 213.94) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  11.49 +/- 0.67   0.049% *  0.3938% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  13.25 +/- 0.98   0.019% *  0.4154% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  14.83 +/- 0.61   0.010% *  0.0869% (0.20   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  17.58 +/- 0.44   0.003% *  0.2486% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.67, residual support = 89.6:
          HN    GLN   90 - QG    GLN   90   2.34 +/- 0.62  99.937% * 99.2271% (0.69   5.67  89.59) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90   8.77 +/- 1.31   0.061% *  0.3501% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  15.87 +/- 1.31   0.002% *  0.4229% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.58, residual support = 89.6:
      O   HN    GLN   90 - HB3   GLN   90   3.40 +/- 0.43  99.669% * 99.8365% (0.83  10.0   5.58  89.59) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  11.14 +/- 1.17   0.143% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  10.04 +/- 0.96   0.184% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  19.35 +/- 0.78   0.004% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.79, residual support = 53.4:
      O   HN    GLU-  79 - HB3   GLU-  79   2.77 +/- 0.43  99.174% * 98.3257% (0.16  10.0   3.79  53.40) =  99.997%  kept
          HN    SER   85 - HB2   GLN   90   6.94 +/- 0.80   0.685% *  0.3734% (0.61   1.0   0.02   0.02) =   0.003%
          HN    THR   94 - HB2   GLN   90  10.40 +/- 0.37   0.046% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.69 +/- 0.63   0.051% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  12.31 +/- 1.52   0.028% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  13.11 +/- 1.05   0.012% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.75 +/- 1.12   0.003% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  23.21 +/- 0.95   0.000% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.13, residual support = 53.4:
      O T HA    GLU-  79 - HB3   GLU-  79   2.82 +/- 0.18  95.185% * 97.1719% (0.57  10.0 10.00   4.13  53.40) =  99.994%  kept
          HA    SER   85 - HB2   GLN   90   5.50 +/- 0.90   2.873% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   77 - HB2   GLN   90   7.52 +/- 1.90   1.668% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HB3   GLU-  79   7.98 +/- 0.38   0.220% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  13.75 +/- 1.44   0.009% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.66 +/- 0.76   0.015% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.13 +/- 0.61   0.011% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.86 +/- 0.92   0.008% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  15.43 +/- 2.15   0.005% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.12 +/- 1.08   0.002% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  18.57 +/- 0.66   0.001% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.94 +/- 1.59   0.002% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.52 +/- 1.69   0.001% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.62 +/- 0.89   0.001% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.31 +/- 1.05   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.71 +/- 0.73   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  30.14 +/- 3.51   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  39.78 +/- 3.32   0.000% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.619, support = 0.515, residual support = 0.497:
          QB    ALA   88 - QG    GLN   90   3.88 +/- 0.98  82.645% * 90.1800% (0.62   0.52   0.50) =  98.862%  kept
          QG2   THR   77 - QG    GLN   90   6.27 +/- 1.46  17.330% *  4.9464% (0.88   0.02   0.02) =   1.137%  kept
          QG2   THR   23 - QG    GLN   90  14.89 +/- 1.50   0.022% *  1.8939% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QG    GLN   90  21.82 +/- 0.80   0.002% *  1.2583% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  25.78 +/- 0.74   0.001% *  1.7213% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.13 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.479, support = 0.0199, residual support = 0.0199:
          QG    LYS+  81 - QG    GLN   90   8.66 +/- 1.55  64.263% *  3.4351% (0.18   0.02   0.02) =  44.069%  kept
          HB3   LYS+ 111 - QG    GLN   90  13.26 +/- 1.86   8.715% * 17.3580% (0.90   0.02   0.02) =  30.201%  kept
          HG2   LYS+ 106 - QG    GLN   90  11.25 +/- 1.58  21.945% *  2.6782% (0.14   0.02   0.02) =  11.733%  kept
          HD3   LYS+  74 - QG    GLN   90  15.68 +/- 1.36   2.083% * 17.3194% (0.89   0.02   0.02) =   7.203%  kept
          HG    LEU  104 - QG    GLN   90  18.31 +/- 1.10   0.884% * 17.0143% (0.88   0.02   0.02) =   3.002%  kept
          HB3   LYS+ 121 - QG    GLN   90  19.15 +/- 0.89   0.632% * 17.0143% (0.88   0.02   0.02) =   2.148%  kept
          HD2   LYS+ 121 - QG    GLN   90  18.59 +/- 1.23   0.803% *  3.8645% (0.20   0.02   0.02) =   0.620%  kept
          QD    LYS+  66 - QG    GLN   90  22.11 +/- 1.59   0.289% *  9.8273% (0.51   0.02   0.02) =   0.566%  kept
          HG2   LYS+  33 - QG    GLN   90  22.57 +/- 0.88   0.208% *  8.4490% (0.44   0.02   0.02) =   0.351%
          HG2   LYS+  65 - QG    GLN   90  23.77 +/- 1.75   0.177% *  3.0399% (0.16   0.02   0.02) =   0.107%
    Distance limit 3.64 A violated in 20 structures by 4.24 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 62.0:
      O   HG3   MET   92 - HB2   MET   92   2.67 +/- 0.22  99.754% * 96.5136% (0.73  10.0  1.00   2.96  61.98) =  99.998%  kept
        T QG    GLN   90 - HB2   MET   92   7.85 +/- 0.42   0.177% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB2   MET   92  11.07 +/- 0.87   0.027% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP- 105 - HB2   MET   92  16.64 +/- 0.86   0.002% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  10.55 +/- 0.72   0.032% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  15.28 +/- 1.31   0.004% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  16.21 +/- 1.12   0.002% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  23.98 +/- 1.46   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  23.14 +/- 1.09   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  22.27 +/- 0.73   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  26.87 +/- 1.09   0.000% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 62.0:
      O   HN    MET   92 - HB2   MET   92   2.56 +/- 0.36  99.327% * 99.7272% (0.92  10.0   3.65  61.98) =  99.999%  kept
          HN    THR   46 - HB2   MET   92   6.58 +/- 0.52   0.660% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB2   MET   92  14.09 +/- 0.67   0.006% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  13.34 +/- 1.41   0.007% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  37.60 +/- 2.55   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 62.0:
      O T HA    MET   92 - HB2   MET   92   2.97 +/- 0.20  99.998% * 99.8006% (0.61  10.0 10.00   3.87  61.98) = 100.000%  kept
          HA    VAL   41 - HB2   MET   92  19.27 +/- 0.64   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  22.19 +/- 1.48   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.3, residual support = 62.0:
      O   HG3   MET   92 - HB3   MET   92   2.57 +/- 0.24  99.853% * 99.2141% (0.73  10.0   3.30  61.98) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   8.69 +/- 0.43   0.075% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92   9.93 +/- 0.46   0.035% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  13.94 +/- 1.38   0.005% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  10.43 +/- 0.84   0.026% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  14.97 +/- 0.85   0.003% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.67 +/- 0.84   0.002% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  21.77 +/- 1.01   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  23.00 +/- 1.40   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  22.03 +/- 1.21   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  25.97 +/- 1.04   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.23, residual support = 62.0:
      O T HA    MET   92 - HB3   MET   92   2.65 +/- 0.13  99.999% * 99.8006% (0.61  10.0 10.00   4.23  61.98) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  20.90 +/- 1.53   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  18.30 +/- 0.43   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 62.0:
      O T HA    MET   92 - HG2   MET   92   2.75 +/- 0.45  99.997% * 99.8006% (0.61  10.0 10.00   2.49  61.98) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  20.78 +/- 1.90   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  17.39 +/- 1.37   0.002% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.327, support = 0.0199, residual support = 2.31:
          HB2   SER   37 - QG2   THR   39   3.60 +/- 0.18  94.095% * 10.7941% (0.30   0.02   2.59) =  88.896%  kept
          HA1   GLY   16 - QG2   THR   39   8.17 +/- 2.06   5.637% * 21.7367% (0.60   0.02   0.02) =  10.724%  kept
          HA    LYS+  66 - QG2   THR   39  10.88 +/- 1.30   0.251% * 16.6488% (0.46   0.02   0.02) =   0.366%
          HA1   GLY   16 - QG2   THR   23  18.40 +/- 0.96   0.006% * 12.1974% (0.33   0.02   0.02) =   0.006%
          HB2   SER   37 - QG2   THR   23  18.57 +/- 0.93   0.005% *  6.0571% (0.17   0.02   0.02) =   0.003%
          HA    LYS+  66 - QB    ALA   91  21.24 +/- 1.00   0.002% *  7.8619% (0.22   0.02   0.02) =   0.002%
          HA    LYS+  66 - QG2   THR   23  22.70 +/- 1.45   0.002% *  9.3424% (0.26   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    ALA   91  22.86 +/- 0.87   0.001% * 10.2645% (0.28   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    ALA   91  24.58 +/- 0.62   0.001% *  5.0972% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.22 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.01, residual support = 62.0:
      O   HN    MET   92 - HB3   MET   92   3.60 +/- 0.19  92.978% * 99.8535% (0.92  10.0   4.01  61.98) =  99.994%  kept
          HN    THR   46 - HB3   MET   92   6.00 +/- 0.81   6.939% *  0.0827% (0.76   1.0   0.02   0.02) =   0.006%
          HN    LYS+  74 - HB3   MET   92  13.22 +/- 0.62   0.042% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   MET   92  14.12 +/- 1.88   0.041% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.793, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   4.27 +/- 0.63  95.925% * 16.4223% (0.80   0.02   0.02) =  98.865%  kept
          HA    GLN   90 - HB3   MET   92   7.93 +/- 0.50   3.165% *  3.5917% (0.18   0.02   0.02) =   0.713%  kept
          HA    PHE   55 - HB3   MET   92  11.41 +/- 1.60   0.693% *  6.3300% (0.31   0.02   0.02) =   0.275%
          HA    VAL   42 - HB3   MET   92  14.60 +/- 0.36   0.079% * 18.3930% (0.90   0.02   0.02) =   0.091%
          HA    PRO   58 - HB3   MET   92  14.37 +/- 1.22   0.109% *  5.1139% (0.25   0.02   0.02) =   0.035%
          HA    GLN   17 - HB3   MET   92  19.57 +/- 1.12   0.014% * 17.7900% (0.87   0.02   0.02) =   0.016%
          HA    GLU-  15 - HB3   MET   92  22.99 +/- 1.01   0.005% *  5.7022% (0.28   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   MET   92  21.23 +/- 0.33   0.008% *  3.1644% (0.15   0.02   0.02) =   0.002%
          HA    SER   37 - HB3   MET   92  28.73 +/- 0.56   0.001% * 17.7900% (0.87   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   MET   92  29.49 +/- 1.40   0.001% *  5.7022% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 2 structures by 0.34 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 62.0:
      O T HA    MET   92 - HG3   MET   92   3.31 +/- 0.64  99.778% * 99.9198% (0.99  10.0 10.00   3.97  61.98) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  10.11 +/- 1.30   0.219% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  21.32 +/- 2.17   0.003% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.92, support = 3.69, residual support = 60.9:
          HN    MET   92 - HG3   MET   92   3.94 +/- 0.57  79.181% * 93.6077% (0.92   3.74  61.98) =  98.333%  kept
          HN    THR   46 - HG3   MET   92   5.58 +/- 1.00  20.685% *  6.0724% (0.76   0.29   0.02) =   1.666%  kept
          HN    LYS+  74 - HG3   MET   92  12.69 +/- 1.19   0.103% *  0.1848% (0.34   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   92  15.76 +/- 1.92   0.031% *  0.1351% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.407, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB2   PRO   93   6.60 +/- 0.91  90.888% * 67.4545% (0.41   0.02   0.02) =  98.786%  kept
          HN    LYS+  65 - HB2   PRO   93  13.87 +/- 1.17   1.479% * 25.3164% (0.15   0.02   0.02) =   0.603%  kept
          QD    PHE   45 - HG3   GLN   30  10.96 +/- 0.98   6.949% *  5.2564% (0.03   0.02   0.02) =   0.589%  kept
          HN    LYS+  65 - HG3   GLN   30  15.88 +/- 1.14   0.683% *  1.9728% (0.01   0.02   0.02) =   0.022%
    Distance limit 4.21 A violated in 20 structures by 2.27 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.73, residual support = 17.6:
      O   HN    THR   94 - HB2   PRO   93   3.12 +/- 0.12  99.953% * 99.8806% (1.00  10.0   4.73  17.57) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  13.58 +/- 1.35   0.018% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  15.00 +/- 0.92   0.009% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  14.44 +/- 0.76   0.011% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  15.84 +/- 1.09   0.006% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  17.31 +/- 0.65   0.004% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.406, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   8.61 +/- 0.88  95.135% * 72.7108% (0.41   0.02   0.02) =  98.117%  kept
          HN    LYS+  65 - HG2   PRO   93  14.67 +/- 1.23   4.865% * 27.2892% (0.15   0.02   0.02) =   1.883%  kept
    Distance limit 4.06 A violated in 20 structures by 4.48 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.4:
      O   HB2   PRO   93 - HG3   PRO   93   2.73 +/- 0.18  99.720% * 98.6893% (0.84  10.0  1.00   5.30 132.36) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   8.69 +/- 1.50   0.170% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93   9.33 +/- 1.09   0.075% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  12.61 +/- 1.82   0.032% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  19.41 +/- 1.40   0.001% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  19.50 +/- 0.99   0.001% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.56 +/- 0.58   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  22.27 +/- 1.74   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  36.12 +/- 1.68   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.4:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.903% * 96.9677% (0.99  10.0 10.00   3.97 132.36) = 100.000%  kept
          HB3   PRO   52 - HG3   PRO   93   6.10 +/- 0.91   0.096% *  0.0367% (0.38   1.0  1.00   0.02   0.96) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  14.65 +/- 1.02   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  17.50 +/- 2.27   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  18.58 +/- 0.47   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  20.72 +/- 0.87   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.12 +/- 1.38   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.08 +/- 1.20   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  19.04 +/- 0.66   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  20.29 +/- 1.33   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 132.4:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.858% * 97.0769% (0.95  10.0 10.00   3.97 132.36) = 100.000%  kept
          HB3   MET   92 - HG2   PRO   93   5.33 +/- 0.23   0.133% *  0.0947% (0.92   1.0  1.00   0.02   1.82) =   0.000%
        T HD2   LYS+ 111 - HG2   PRO   93   9.83 +/- 1.56   0.006% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  10.97 +/- 1.03   0.002% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  15.76 +/- 0.94   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  20.66 +/- 1.71   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  15.52 +/- 1.02   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  17.82 +/- 1.67   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  14.69 +/- 1.87   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  25.61 +/- 0.89   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  17.15 +/- 0.73   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  19.80 +/- 0.82   0.000% *  0.0581% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.42 +/- 0.24  72.221% * 99.5358% (0.97  10.0   3.97 132.36) =  99.966%  kept
          HB3   CYSS  53 - HG3   PRO   93   4.02 +/- 1.94  25.517% *  0.0861% (0.84   1.0   0.02   0.02) =   0.031%
          QB    PHE   55 - HG3   PRO   93   5.43 +/- 1.40   2.063% *  0.1029% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG3   PRO   93   7.70 +/- 1.10   0.185% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  10.33 +/- 1.37   0.014% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  19.62 +/- 2.06   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.4:
      O   HD2   PRO   93 - HG3   PRO   93   2.75 +/- 0.23  99.977% * 99.4436% (0.25  10.0   3.97 132.36) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  12.13 +/- 1.52   0.021% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  18.51 +/- 1.14   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  21.27 +/- 0.83   0.001% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  14.85 +/- 1.27 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.10 A violated in 20 structures by 10.75 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.711, support = 2.94, residual support = 6.61:
          HN    ALA  110 - HD2   PRO   93   3.42 +/- 1.42  96.281% * 83.6470% (0.71   2.95   6.65) =  99.322%  kept
          HN    PHE   45 - HD2   PRO   93   8.52 +/- 0.64   3.402% * 16.1627% (0.61   0.67   0.02) =   0.678%  kept
          HN    ASP-  44 - HD2   PRO   93  12.67 +/- 0.58   0.309% *  0.0892% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - HD2   PRO   93  22.97 +/- 0.84   0.008% *  0.1012% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 2 structures by 0.24 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 0.978, residual support = 0.971:
          HA1   GLY  109 - HD2   PRO   93   5.59 +/- 1.09  74.854% * 88.9603% (0.38   0.98   0.98) =  99.364%  kept
          HA    CYSS  50 - HD2   PRO   93   7.56 +/- 1.84  24.169% *  1.6719% (0.35   0.02   0.02) =   0.603%  kept
          HA    TRP   49 - HD2   PRO   93  12.30 +/- 1.90   0.805% *  2.3595% (0.50   0.02   0.02) =   0.028%
          HA    CYS   21 - HD2   PRO   93  19.76 +/- 0.83   0.048% *  2.9795% (0.63   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HD2   PRO   93  22.14 +/- 0.85   0.024% *  3.4273% (0.72   0.02   0.02) =   0.001%
          HA    ALA   20 - HD2   PRO   93  17.61 +/- 1.05   0.100% *  0.6016% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 10 structures by 1.04 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 6.65:
          QB    ALA  110 - HD2   PRO   93   3.09 +/- 1.69  89.745% * 93.8275% (0.69   2.31   6.65) =  99.977%  kept
          HB3   LEU  115 - HD2   PRO   93   7.70 +/- 1.47   9.243% *  0.1504% (0.13   0.02   0.02) =   0.017%
          QB    ALA   61 - HD2   PRO   93  12.04 +/- 1.16   0.321% *  0.8570% (0.72   0.02   0.02) =   0.003%
          QG    LYS+  66 - HD2   PRO   93  16.94 +/- 1.58   0.156% *  0.6878% (0.58   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD2   PRO   93  16.29 +/- 2.52   0.246% *  0.2930% (0.25   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD2   PRO   93  15.16 +/- 1.03   0.110% *  0.2651% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   PRO   93  16.44 +/- 1.72   0.054% *  0.4181% (0.35   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   PRO   93  16.76 +/- 0.92   0.025% *  0.8289% (0.70   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   PRO   93  17.98 +/- 1.04   0.038% *  0.5210% (0.44   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  20.53 +/- 1.38   0.019% *  0.7703% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  19.84 +/- 1.71   0.016% *  0.8125% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  19.60 +/- 0.60   0.021% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  23.80 +/- 2.03   0.005% *  0.4181% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 2 structures by 0.37 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.703, support = 1.0, residual support = 7.6:
          QB    ALA  110 - HD3   PRO   93   3.65 +/- 1.90  65.154% * 57.3698% (0.78   0.75   6.65) =  89.388%  kept
          HB3   LEU   67 - HD3   PRO   68   4.38 +/- 0.68  15.201% * 26.2616% (0.08   3.44  17.35) =   9.546%  kept
          QG    LYS+  66 - HD3   PRO   68   4.78 +/- 1.31  19.334% *  2.2977% (0.05   0.47   0.02) =   1.062%  kept
          QB    ALA   61 - HD3   PRO   93  11.81 +/- 1.04   0.041% *  1.1409% (0.58   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.13 +/- 0.73   0.107% *  0.2031% (0.10   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD3   PRO   93  17.48 +/- 2.76   0.013% *  1.4731% (0.75   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   93  14.69 +/- 1.05   0.013% *  1.4122% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   93  16.19 +/- 1.91   0.008% *  1.6684% (0.85   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   68  12.95 +/- 2.07   0.037% *  0.2898% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   93  16.50 +/- 1.07   0.005% *  1.4731% (0.75   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  17.34 +/- 1.66   0.006% *  0.5444% (0.28   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  20.44 +/- 1.32   0.002% *  1.6281% (0.83   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   68  15.38 +/- 2.92   0.010% *  0.2622% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.94 +/- 0.54   0.003% *  0.9279% (0.47   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.09 +/- 0.93   0.013% *  0.1651% (0.08   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  15.93 +/- 2.44   0.020% *  0.0873% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  20.14 +/- 1.66   0.002% *  0.8585% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.97 +/- 1.67   0.005% *  0.2513% (0.13   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  18.25 +/- 2.21   0.004% *  0.2723% (0.14   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.31 +/- 1.38   0.019% *  0.0550% (0.03   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  18.17 +/- 1.04   0.003% *  0.3089% (0.16   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  24.32 +/- 1.81   0.001% *  0.2969% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  23.49 +/- 1.57   0.001% *  0.2622% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  28.09 +/- 1.57   0.000% *  0.4904% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   2.43 +/- 0.48 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 2.0, residual support = 5.5:
          QD1   ILE   89 - HB    THR   94   3.33 +/- 0.57  99.111% * 98.9959% (0.77   2.00   5.50) =  99.994%  kept
          QG2   VAL   83 - HB    THR   94   8.49 +/- 0.73   0.809% *  0.7366% (0.57   0.02   0.02) =   0.006%
          QD2   LEU   31 - HB    THR   94  11.73 +/- 0.62   0.080% *  0.2674% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.1:
        T HB2   PHE   45 - HB    THR   94   2.99 +/- 0.57  99.932% * 99.8423% (0.81 10.00   2.96  27.08) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  12.09 +/- 1.29   0.049% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  13.18 +/- 1.77   0.019% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  12.97 +/- 0.82 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.92 A violated in 20 structures by 10.06 A, eliminated.
    Peak unassigned.
 
    Peak 3026 (8.03, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.08, residual support = 25.3:
      O   HN    THR   94 - HB    THR   94   2.67 +/- 0.22  99.938% * 99.8964% (0.83  10.0   3.08  25.28) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  11.44 +/- 0.50   0.019% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94   9.93 +/- 0.62   0.043% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.805, support = 3.27, residual support = 26.8:
          HN    PHE   45 - HB    THR   94   4.46 +/- 0.68  91.727% * 89.3927% (0.81   3.30  27.08) =  98.941%  kept
          HN    ALA  110 - HB    THR   94   7.81 +/- 1.73   8.273% * 10.6073% (0.67   0.47   0.02) =   1.059%  kept
    Distance limit 4.13 A violated in 3 structures by 0.43 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   5.30 +/- 0.27 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.41 A violated in 20 structures by 1.89 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.12, residual support = 14.3:
          HN    PHE   95 - QG2   THR   94   2.82 +/- 0.26 100.000% *100.0000% (0.97   4.12  14.33) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.671, support = 0.0199, residual support = 0.0199:
          HA    TRP   87 - HA    PHE   95  10.82 +/- 0.51  37.069% * 25.3593% (0.76   0.02   0.02) =  51.434%  kept
          HA    LEU  104 - HA    PHE   95  12.34 +/- 0.36  17.143% * 27.7167% (0.84   0.02   0.02) =  25.997%  kept
          HA    PHE   59 - HA    PHE   95  10.96 +/- 1.43  38.048% *  8.2742% (0.25   0.02   0.02) =  17.225%  kept
          HA    ASP-  86 - HA    PHE   95  14.31 +/- 0.50   6.999% * 12.4539% (0.38   0.02   0.02) =   4.769%  kept
          HA    GLU-  14 - HA    PHE   95  21.74 +/- 1.03   0.591% * 14.8769% (0.45   0.02   0.02) =   0.481%
          HA    ALA   12 - HA    PHE   95  27.41 +/- 1.52   0.150% * 11.3190% (0.34   0.02   0.02) =   0.093%
    Distance limit 3.45 A violated in 20 structures by 5.68 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.5:
          QD    PHE   95 - HA    PHE   95   2.41 +/- 0.46  99.975% * 99.8140% (0.87   3.44  73.51) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.58 +/- 0.40   0.025% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.23 +/- 0.04  99.994% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.47 +/- 0.51   0.006% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.33  73.51) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.38 +/- 0.10  99.993% * 99.9680% (0.87  10.0   3.00  73.51) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.03 +/- 0.65   0.007% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.64 +/- 0.16  99.988% * 99.9680% (0.87  10.0   3.31  73.51) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.08 +/- 0.65   0.012% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.61 +/- 0.11 100.000% *100.0000% (0.53  10.0   4.19  73.51) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.46 +/- 0.17 100.000% *100.0000% (0.53  10.0   3.86  73.51) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.834, support = 1.73, residual support = 45.7:
          QG2   VAL  107 - HB3   PHE   95   4.97 +/- 0.51  85.113% * 95.9741% (0.84   1.73  45.74) =  99.895%  kept
          HG13  ILE  119 - HB3   PHE   95   8.17 +/- 2.36  11.145% *  0.5447% (0.41   0.02   0.02) =   0.074%
          HG13  ILE  103 - HB3   PHE   95   9.29 +/- 0.87   2.699% *  0.4972% (0.38   0.02   0.02) =   0.016%
          HG2   LYS+ 121 - HB3   PHE   95  12.52 +/- 2.40   0.517% *  1.2986% (0.98   0.02   0.02) =   0.008%
          QB    ALA   20 - HB3   PHE   95  13.33 +/- 0.88   0.321% *  1.1882% (0.90   0.02   0.02) =   0.005%
          HB3   LEU   31 - HB3   PHE   95  14.41 +/- 0.98   0.205% *  0.4972% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 12 structures by 1.12 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.568, support = 1.62, residual support = 4.01:
          QD1   LEU   63 - HB3   PHE   95   3.98 +/- 0.84  88.920% * 83.9304% (0.57   1.64   4.03) =  99.220%  kept
          QD2   LEU  115 - HB3   PHE   95   8.14 +/- 1.51   5.460% *  9.9621% (0.90   0.12   1.19) =   0.723%  kept
          QD1   LEU   73 - HB3   PHE   95   8.65 +/- 0.92   1.609% *  1.0261% (0.57   0.02   0.02) =   0.022%
          QD1   LEU  104 - HB3   PHE   95   9.49 +/- 0.80   0.730% *  1.8125% (1.00   0.02   0.02) =   0.018%
          QG2   ILE   89 - HB3   PHE   95   7.74 +/- 0.53   2.985% *  0.2797% (0.15   0.02   0.02) =   0.011%
          QD2   LEU   80 - HB3   PHE   95  12.22 +/- 1.13   0.212% *  1.6731% (0.92   0.02   0.02) =   0.005%
          QG1   VAL   83 - HB3   PHE   95  13.71 +/- 1.08   0.083% *  1.3161% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 2 structures by 0.40 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.745, residual support = 1.42:
          QG1   VAL   42 - HB3   PHE   95   4.52 +/- 0.48  95.915% * 67.6431% (0.65   0.75   1.44) =  98.521%  kept
          QB    ALA   64 - HB3   PHE   95   8.58 +/- 1.27   3.272% * 29.3653% (0.53   0.40   0.02) =   1.459%  kept
          QB    ALA   47 - HB3   PHE   95  11.32 +/- 0.51   0.457% *  2.1310% (0.76   0.02   0.02) =   0.015%
          HG2   LYS+ 112 - HB3   PHE   95  12.86 +/- 1.85   0.355% *  0.8606% (0.31   0.02   0.02) =   0.005%
    Distance limit 3.63 A violated in 8 structures by 0.86 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.7:
          QG2   VAL  107 - HB2   PHE   95   3.76 +/- 0.50  97.522% * 94.2648% (0.34   3.59  45.74) =  99.965%  kept
          HG13  ILE  119 - HB2   PHE   95   8.16 +/- 1.98   2.129% *  1.3791% (0.90   0.02   0.02) =   0.032%
          HG2   LYS+ 121 - HB2   PHE   95  12.16 +/- 2.25   0.159% *  0.8706% (0.57   0.02   0.02) =   0.002%
          QB    ALA   20 - HB2   PHE   95  14.39 +/- 0.81   0.043% *  1.4196% (0.92   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB2   PHE   95  12.73 +/- 1.77   0.096% *  0.4276% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  15.68 +/- 0.93   0.028% *  1.3339% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  16.04 +/- 1.00   0.023% *  0.3043% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 45.7:
        T HB    VAL  107 - HB2   PHE   95   2.49 +/- 0.51  99.855% * 99.6841% (0.80 10.00   4.31  45.74) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   9.00 +/- 0.50   0.120% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95  10.93 +/- 1.66   0.020% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  16.90 +/- 0.87   0.003% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  19.32 +/- 0.98   0.001% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  18.23 +/- 0.77   0.001% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 5.5:
          QD1   ILE   89 - QG2   THR   94   1.94 +/- 0.35  99.893% * 97.3666% (0.92   0.75   5.50) =  99.998%  kept
          QG2   VAL   83 - QG2   THR   94   7.08 +/- 0.61   0.096% *  1.9321% (0.69   0.02   0.02) =   0.002%
          QD2   LEU   31 - QG2   THR   94   9.39 +/- 0.47   0.011% *  0.7014% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 0.987, residual support = 1.97:
        T HA    LYS+ 106 - HA    MET   96   3.12 +/- 0.35 100.000% *100.0000% (0.97 10.00   0.99   1.97) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 46.6:
      O   HN    PHE   97 - HA    MET   96   2.25 +/- 0.06  99.993% * 99.8692% (0.88  10.0   6.07  46.63) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  12.00 +/- 0.92   0.005% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.05 +/- 1.40   0.002% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.6:
      O   HN    MET   96 - HA    MET   96   2.92 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.58) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.88, residual support = 9.13:
        T QE    PHE   45 - HB2   MET   96   3.79 +/- 0.91  98.766% * 98.2140% (0.49 10.00   1.88   9.13) =  99.995%  kept
        T HZ    PHE   72 - HB2   MET   96  12.13 +/- 1.28   0.198% *  1.6387% (0.76 10.00   0.02   0.02) =   0.003%
          QD    PHE   72 - HB2   MET   96   9.48 +/- 0.72   1.037% *  0.1473% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.72 A violated in 4 structures by 0.36 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 46.6:
          HN    PHE   97 - HB2   MET   96   3.96 +/- 0.15  99.892% * 99.4519% (0.92   6.07  46.63) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.57 +/- 0.84   0.045% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  13.70 +/- 0.47   0.062% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  26.75 +/- 2.13   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.08, residual support = 115.6:
      O   HN    MET   96 - HB2   MET   96   2.83 +/- 0.15 100.000% *100.0000% (0.65  10.0   4.08 115.58) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3051 (6.72, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.643, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  13.00 +/- 1.43  21.300% * 81.6578% (0.99   0.02   0.02) =  54.647%  kept
          QD    PHE   72 - HB3   MET   96  10.36 +/- 0.76  78.700% * 18.3422% (0.22   0.02   0.02) =  45.353%  kept
    Distance limit 3.58 A violated in 20 structures by 6.38 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.6:
      O   HN    MET   96 - HB3   MET   96   2.69 +/- 0.17 100.000% *100.0000% (0.65  10.0   3.97 115.58) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   2.37 +/- 0.51  99.625% * 94.5898% (0.73   2.00  16.41) =  99.997%  kept
          QG1   VAL   41 - HB2   MET   96   7.27 +/- 0.35   0.244% *  0.6853% (0.53   0.02   0.02) =   0.002%
          QD2   LEU  104 - HB2   MET   96   8.91 +/- 0.90   0.073% *  1.0431% (0.80   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   MET   96  10.61 +/- 0.63   0.027% *  1.2768% (0.98   0.02   0.02) =   0.000%
          QG2   VAL   18 - HB2   MET   96  11.47 +/- 0.68   0.019% *  1.2025% (0.92   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   MET   96  11.98 +/- 0.79   0.012% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 1.5, residual support = 5.98:
          QD1   ILE   89 - HB2   MET   96   4.51 +/- 0.24  87.093% * 96.5403% (0.69   1.50   5.99) =  99.735%  kept
          QD2   LEU   31 - HB2   MET   96   6.77 +/- 0.53   9.136% *  1.7298% (0.92   0.02   0.02) =   0.187%
          QG2   VAL   83 - HB2   MET   96   7.84 +/- 0.75   3.770% *  1.7298% (0.92   0.02   0.02) =   0.077%
    Distance limit 3.83 A violated in 3 structures by 0.69 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 5.99:
        T QD1   ILE   89 - HB3   MET   96   3.29 +/- 0.20  99.282% * 99.9203% (0.69 10.00   1.50   5.99) =  99.999%  kept
          QG2   VAL   83 - HB3   MET   96   7.74 +/- 0.76   0.718% *  0.0797% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 46.6:
          HN    PHE   97 - HG2   MET   96   3.10 +/- 0.52  99.877% * 99.1286% (0.92   5.60  46.63) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  10.86 +/- 1.09   0.088% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.55 +/- 1.25   0.014% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  14.48 +/- 0.84   0.015% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  17.11 +/- 1.49   0.006% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  28.37 +/- 2.22   0.000% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  28.59 +/- 1.09   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  36.43 +/- 1.90   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.04, residual support = 46.6:
          HN    PHE   97 - HG3   MET   96   3.29 +/- 0.53  99.971% * 99.5684% (0.54   6.04  46.63) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.24 +/- 1.05   0.022% *  0.3295% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.17 +/- 1.58   0.007% *  0.1021% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.329, support = 2.39, residual support = 8.41:
          HG13  ILE  103 - HG2   MET   96   3.28 +/- 0.54  92.125% * 36.2870% (0.25   2.55   9.21) =  89.299%  kept
          QG2   THR   94 - HG2   MET   96   5.68 +/- 0.58   6.768% * 59.1519% (0.99   1.04   1.78) =  10.695%  kept
          QG2   THR   94 - HB2   PRO   52   9.30 +/- 1.57   0.335% *  0.3328% (0.29   0.02   0.02) =   0.003%
          HB3   LEU   71 - HG2   MET   96  12.52 +/- 0.93   0.039% *  0.9153% (0.80   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HB2   PRO   52  10.98 +/- 1.21   0.099% *  0.2913% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB2   PRO   52   9.26 +/- 2.12   0.532% *  0.0518% (0.05   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HB2   PRO   52  11.14 +/- 1.29   0.082% *  0.3291% (0.29   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG2   MET   96  19.17 +/- 1.65   0.003% *  1.1204% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  20.04 +/- 1.41   0.003% *  0.9915% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  16.24 +/- 1.63   0.010% *  0.1764% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  23.56 +/- 0.98   0.001% *  0.2689% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  19.64 +/- 1.53   0.003% *  0.0837% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.738, support = 2.66, residual support = 9.16:
          QD1   ILE  103 - HG2   MET   96   3.19 +/- 0.84  75.913% * 19.9282% (0.49   2.08   9.21) =  50.737%  kept
          QG2   ILE  103 - HG2   MET   96   4.26 +/- 0.50  22.602% * 64.3104% (1.00   3.28   9.21) =  48.750%  kept
          QD2   LEU   40 - HG2   MET   96   7.00 +/- 0.84   1.100% * 13.8311% (0.95   0.74   0.02) =   0.510%  kept
          QD1   LEU   67 - HG2   MET   96  12.21 +/- 2.17   0.048% *  0.3790% (0.97   0.02   0.02) =   0.001%
          HB    VAL   75 - HG2   MET   96  10.44 +/- 0.83   0.089% *  0.1474% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   MET   96  12.41 +/- 0.85   0.027% *  0.2382% (0.61   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  13.45 +/- 2.38   0.141% *  0.0356% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG2   MET   96  15.08 +/- 0.52   0.008% *  0.3893% (0.99   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  13.39 +/- 1.92   0.025% *  0.1212% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  14.39 +/- 1.15   0.011% *  0.1144% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  16.58 +/- 1.48   0.006% *  0.1151% (0.29   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  14.58 +/- 1.13   0.014% *  0.0433% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  17.12 +/- 1.38   0.005% *  0.1113% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  18.29 +/- 1.27   0.003% *  0.1091% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  16.65 +/- 1.42   0.005% *  0.0562% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  20.54 +/- 0.99   0.001% *  0.0700% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.24, support = 0.437, residual support = 0.521:
          HG    LEU   98 - HG3   MET   96   4.75 +/- 1.26  44.694% * 10.2263% (0.25   0.24   0.40) =  51.353%  kept
          QB    LEU   98 - HG3   MET   96   5.50 +/- 0.87  18.454% * 18.4991% (0.14   0.79   0.40) =  38.357%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.00 +/- 0.70  34.571% *  2.0930% (0.61   0.02   1.97) =   8.130%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.18 +/- 1.17   0.298% * 55.3096% (0.59   0.55   0.13) =   1.853%  kept
          HB    VAL   42 - HG3   MET   96   9.43 +/- 0.65   0.613% *  1.8812% (0.54   0.02   0.02) =   0.130%
          HB3   LEU   73 - HG3   MET   96  10.43 +/- 1.21   0.338% *  1.9843% (0.57   0.02   0.02) =   0.075%
          QB    ALA   84 - HG3   MET   96   9.99 +/- 0.63   0.463% *  1.1036% (0.32   0.02   0.02) =   0.057%
          HB3   ASP-  44 - HG3   MET   96  10.23 +/- 0.48   0.400% *  0.4151% (0.12   0.02   0.02) =   0.019%
          HB3   PRO   93 - HG3   MET   96  12.80 +/- 0.53   0.104% *  1.1876% (0.34   0.02   0.02) =   0.014%
          HB2   LYS+ 112 - HG3   MET   96  18.76 +/- 1.80   0.025% *  2.0791% (0.60   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HG3   MET   96  16.69 +/- 1.08   0.018% *  1.7521% (0.51   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HG3   MET   96  20.17 +/- 1.14   0.007% *  1.8812% (0.54   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  18.46 +/- 1.69   0.010% *  0.6474% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  23.23 +/- 2.11   0.003% *  0.9404% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 1 structures by 0.22 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.233, support = 2.14, residual support = 7.85:
          HG13  ILE  103 - HG3   MET   96   3.35 +/- 0.70  87.497% * 34.2210% (0.15  1.00   2.40   9.21) =  81.765%  kept
          QG2   THR   94 - HG3   MET   96   5.38 +/- 0.68  12.444% * 53.6555% (0.60  1.00   0.95   1.78) =  18.233%  kept
          HB3   LEU   71 - HG3   MET   96  12.84 +/- 0.86   0.040% *  0.9150% (0.49  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 112 - HG3   MET   96  19.72 +/- 1.81   0.003% *  9.9121% (0.53 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  18.84 +/- 1.71   0.004% *  1.1201% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  15.85 +/- 1.59   0.012% *  0.1763% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.449, support = 2.43, residual support = 9.21:
          QD1   ILE  103 - HG3   MET   96   3.25 +/- 0.87  75.572% * 23.1517% (0.30   1.89   9.21) =  50.319%  kept
          QG2   ILE  103 - HG3   MET   96   4.27 +/- 0.52  23.104% * 74.7408% (0.61   2.98   9.21) =  49.664%  kept
          QD2   LEU   40 - HG3   MET   96   7.28 +/- 0.82   1.029% *  0.4755% (0.57   0.02   0.02) =   0.014%
          QD1   LEU   67 - HG3   MET   96  12.28 +/- 2.21   0.071% *  0.4851% (0.59   0.02   0.02) =   0.001%
          HB    VAL   75 - HG3   MET   96  10.43 +/- 1.03   0.144% *  0.1887% (0.23   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  12.66 +/- 1.02   0.037% *  0.3049% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  15.02 +/- 0.45   0.012% *  0.4982% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  13.27 +/- 1.59   0.031% *  0.1551% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.45, residual support = 11.0:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.02 100.000% *100.0000% (0.80  10.0   3.45  10.96) = 100.000%  kept
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.75, residual support = 62.7:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  99.989% * 99.8692% (0.90  10.0   4.75  62.72) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  14.23 +/- 1.08   0.009% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.52 +/- 1.46   0.003% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.7:
      O T QD    PHE   97 - HB2   PHE   97   2.51 +/- 0.14  99.989% * 99.9164% (0.45  10.0 10.00   2.44  62.72) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  11.87 +/- 1.08   0.011% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.11, residual support = 52.4:
          HN    ASP- 105 - HB2   PHE   97   2.22 +/- 0.33  99.998% * 99.8885% (0.95   7.11  52.39) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  14.98 +/- 0.75   0.002% *  0.1115% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.86, residual support = 62.7:
      O   HN    PHE   97 - HB2   PHE   97   2.51 +/- 0.26  99.989% * 99.8692% (0.90  10.0   4.86  62.72) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.48 +/- 1.22   0.008% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.65 +/- 1.33   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.961, support = 3.29, residual support = 45.5:
        T HB3   ASP- 105 - HB2   PHE   97   3.78 +/- 0.66  73.191% * 60.4658% (0.99 10.00   3.61  52.39) =  84.213%  kept
        T QB    LYS+ 106 - HB2   PHE   97   4.94 +/- 0.65  21.221% * 39.0877% (0.80 10.00   1.60   8.77) =  15.784%  kept
          HB    ILE  103 - HB2   PHE   97   7.10 +/- 0.52   1.805% *  0.0610% (1.00  1.00   0.02   1.02) =   0.002%
          HG12  ILE  103 - HB2   PHE   97   6.42 +/- 0.74   3.613% *  0.0121% (0.20  1.00   0.02   1.02) =   0.001%
          HG3   PRO   68 - HB2   PHE   97  13.79 +/- 2.16   0.052% *  0.0609% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  14.96 +/- 0.69   0.020% *  0.0577% (0.95  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  14.08 +/- 2.76   0.038% *  0.0251% (0.41  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  15.25 +/- 2.13   0.022% *  0.0229% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  18.13 +/- 0.77   0.006% *  0.0547% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.75 +/- 0.61   0.021% *  0.0152% (0.25  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  19.80 +/- 0.41   0.003% *  0.0510% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.65 +/- 1.77   0.003% *  0.0609% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.33 +/- 0.98   0.004% *  0.0251% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 4.52, residual support = 16.4:
        T HB2   LEU  104 - HB2   PHE   97   3.11 +/- 0.59  68.612% * 82.0988% (0.31 10.00   4.63  17.06) =  95.582%  kept
          QD2   LEU   40 - HB2   PHE   97   4.26 +/- 0.92  16.856% *  7.7339% (0.38  1.00   1.55   1.90) =   2.212%  kept
          QG2   ILE  103 - HB2   PHE   97   4.36 +/- 0.54  13.582% *  9.5644% (0.25  1.00   2.88   1.02) =   2.204%  kept
          QD1   LEU   67 - HB2   PHE   97   9.41 +/- 2.59   0.472% *  0.0907% (0.34  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB2   PHE   97   9.91 +/- 2.03   0.160% *  0.1613% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   PHE   97   8.27 +/- 0.57   0.297% *  0.0526% (0.20  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  13.46 +/- 1.13   0.016% *  0.2516% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  15.94 +/- 0.91   0.005% *  0.0466% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.346, support = 1.47, residual support = 3.74:
        T QD2   LEU   40 - HB3   PHE   97   3.11 +/- 1.22  55.893% * 75.9662% (0.36 10.00   1.21   1.90) =  86.828%  kept
          HB2   LEU  104 - HB3   PHE   97   3.19 +/- 0.65  35.464% * 16.8337% (0.29  1.00   3.27  17.06) =  12.208%  kept
          QG2   ILE  103 - HB3   PHE   97   5.20 +/- 0.94   7.289% *  6.4446% (0.24  1.00   1.55   1.02) =   0.961%  kept
          QD1   LEU   67 - HB3   PHE   97   8.60 +/- 2.57   1.185% *  0.1137% (0.32  1.00   0.02   0.02) =   0.003%
          QD1   ILE  119 - HB3   PHE   97  10.17 +/- 2.06   0.082% *  0.2022% (0.57  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   PHE   97   9.41 +/- 0.64   0.077% *  0.0660% (0.19  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   PHE   97  13.62 +/- 1.01   0.007% *  0.3153% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  15.75 +/- 1.17   0.003% *  0.0584% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.7:
      O T QD    PHE   97 - HB3   PHE   97   2.43 +/- 0.20  99.991% * 99.8821% (0.87  10.0 10.00   2.74  62.72) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  12.11 +/- 1.13   0.009% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  24.89 +/- 1.53   0.000% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.26, residual support = 52.4:
          HN    ASP- 105 - HB3   PHE   97   3.28 +/- 0.50  99.985% * 99.0378% (0.46   5.26  52.39) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  15.82 +/- 0.85   0.011% *  0.6716% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.75 +/- 1.33   0.004% *  0.2906% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.21, residual support = 62.7:
      O   HN    PHE   97 - HB3   PHE   97   3.48 +/- 0.34  99.953% * 99.8692% (0.85  10.0   5.21  62.72) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.44 +/- 1.26   0.035% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.69 +/- 1.48   0.012% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.737, support = 2.11, residual support = 49.2:
          HB3   ASP- 105 - HB3   PHE   97   4.74 +/- 0.82  73.616% * 69.9233% (0.72  1.00   2.23  52.39) =  92.614%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.20 +/- 0.71  18.231% * 22.2618% (0.93  1.00   0.55   8.77) =   7.302%  kept
          HB    ILE  103 - HB3   PHE   97   7.72 +/- 0.96   7.077% *  0.5629% (0.65  1.00   0.02   1.02) =   0.072%
          HG3   PRO   68 - HB3   PHE   97  12.67 +/- 2.22   0.436% *  0.5301% (0.61  1.00   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HB3   PHE   97  13.48 +/- 0.82   0.170% *  0.5950% (0.69  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HB3   PHE   97  13.96 +/- 0.82   0.141% *  0.7108% (0.82  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HB3   PHE   97  13.75 +/- 0.85   0.151% *  0.4311% (0.50  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HB3   PHE   97  18.18 +/- 1.49   0.030% *  1.8244% (0.21 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB3   PHE   97  15.87 +/- 1.98   0.071% *  0.7108% (0.82  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB3   PHE   97  19.19 +/- 0.59   0.018% *  0.7564% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  17.29 +/- 0.76   0.034% *  0.3075% (0.36  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  20.29 +/- 0.51   0.013% *  0.7908% (0.91  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.15 +/- 1.97   0.011% *  0.5950% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 7 structures by 0.69 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.328, support = 3.18, residual support = 24.9:
          HG12  ILE  103 - HA    LEU   98   3.93 +/- 0.51  62.336% * 46.9370% (0.25   3.84  26.41) =  75.638%  kept
          HB    VAL   41 - HA    LEU   98   4.97 +/- 0.77  22.898% * 27.6263% (0.38   1.50  28.82) =  16.353%  kept
          QB    LYS+ 102 - HA    LEU   98   5.15 +/- 0.48  14.390% * 21.5052% (0.98   0.45   2.57) =   8.000%  kept
          HB2   LEU   71 - HA    LEU   98   9.67 +/- 0.65   0.318% *  0.9793% (1.00   0.02   0.02) =   0.008%
          QB    LYS+  66 - HA    LEU   98  13.89 +/- 0.98   0.038% *  0.5557% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  65 - HA    LEU   98  17.32 +/- 0.58   0.009% *  0.9815% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  17.76 +/- 0.52   0.008% *  0.8198% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  20.58 +/- 0.98   0.003% *  0.5953% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 26.4:
          HA    ILE  103 - HA    LEU   98   2.29 +/- 0.23  99.189% * 94.1073% (0.73   2.96  26.41) =  99.998%  kept
          HA    LEU  104 - HA    LEU   98   5.29 +/- 0.36   0.787% *  0.2437% (0.28   0.02   5.96) =   0.002%
          HA    ASP-  44 - HA    LEU   98  11.58 +/- 0.40   0.007% *  0.7861% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HA    LEU   98  10.14 +/- 0.37   0.015% *  0.2437% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  15.61 +/- 0.99   0.001% *  0.6365% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  17.26 +/- 0.79   0.001% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  20.02 +/- 0.61   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  21.98 +/- 1.08   0.000% *  0.5670% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.01 +/- 2.20   0.000% *  0.6699% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  27.28 +/- 2.67   0.000% *  0.8091% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  23.06 +/- 0.69   0.000% *  0.2990% (0.34   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.35 +/- 0.47   0.000% *  0.1735% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 0.552:
          HN    ASP- 105 - HA    LEU   98   5.14 +/- 0.38  99.793% * 71.5947% (0.95   0.02   0.55) =  99.918%  kept
          HN    ALA   88 - HA    LEU   98  14.75 +/- 0.80   0.207% * 28.4053% (0.38   0.02   0.02) =   0.082%
    Distance limit 3.85 A violated in 15 structures by 1.29 A, eliminated.
    Peak unassigned.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.27, residual support = 17.8:
      O   HN    LYS+  99 - HA    LEU   98   2.29 +/- 0.05  99.864% * 99.7964% (0.80  10.0   4.27  17.77) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98  10.87 +/- 6.26   0.130% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  11.60 +/- 0.62   0.006% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  21.41 +/- 1.68   0.000% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.65, residual support = 5.96:
          HN    LEU  104 - HA    LEU   98   3.14 +/- 0.30  99.973% * 99.5067% (0.92   2.65   5.96) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.56 +/- 0.35   0.027% *  0.4933% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 81.9:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.98  10.0   5.21  81.94) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3081 (1.84, 1.41, 47.50 ppm):
    13 chemical-shift based assignments, quality = 0.433, support = 3.5, residual support = 28.6:
        T HB    VAL   41 - QB    LEU   98   2.68 +/- 0.92  68.714% * 75.3774% (0.42 10.00   3.54  28.82) =  91.641%  kept
          HG12  ILE  103 - QB    LEU   98   3.46 +/- 0.81  29.389% * 15.6680% (0.56  1.00   3.13  26.41) =   8.147%  kept
          HB    ILE  103 - QB    LEU   98   5.13 +/- 0.67   1.703% *  6.9742% (0.60  1.00   1.31  26.41) =   0.210%
        T QB    LYS+ 106 - QB    LEU   98   7.38 +/- 0.55   0.123% *  0.4780% (0.27 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QB    LEU   98  10.28 +/- 0.62   0.016% *  0.7538% (0.42 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QB    LEU   98   8.84 +/- 0.58   0.046% *  0.0939% (0.53  1.00   0.02   0.55) =   0.000%
          HG3   PRO   68 - QB    LEU   98  14.64 +/- 1.34   0.002% *  0.1124% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.31 +/- 0.80   0.004% *  0.0478% (0.27  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  17.54 +/- 2.32   0.001% *  0.1389% (0.78  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  17.23 +/- 0.57   0.001% *  0.0637% (0.36  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  16.95 +/- 0.52   0.001% *  0.0528% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.94 +/- 1.04   0.000% *  0.1389% (0.78  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  23.03 +/- 1.68   0.000% *  0.1002% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.91, residual support = 17.8:
          HN    LYS+  99 - QB    LEU   98   2.97 +/- 0.23  99.530% * 97.3918% (0.27   3.91  17.77) =  99.996%  kept
          HN    ASN   35 - QB    LEU   98   8.73 +/- 0.58   0.191% *  1.3496% (0.72   0.02   0.02) =   0.003%
          HE1   HIS  122 - QB    LEU   98  11.23 +/- 5.35   0.275% *  0.4029% (0.22   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    LEU   98  18.27 +/- 1.64   0.003% *  0.2493% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  22.15 +/- 2.07   0.001% *  0.6064% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.93, residual support = 28.8:
          HN    VAL   41 - QB    LEU   98   3.63 +/- 0.59 100.000% *100.0000% (0.85   2.93  28.82) = 100.000%  kept
    Distance limit 3.91 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.12, residual support = 81.9:
      O   HN    LEU   98 - QB    LEU   98   2.84 +/- 0.24 100.000% *100.0000% (0.85  10.0   5.12  81.94) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 81.9:
      O   HA    LEU   98 - HG    LEU   98   3.17 +/- 0.51 100.000% *100.0000% (0.69  10.0   4.04  81.94) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.97, residual support = 81.9:
          HN    LEU   98 - HG    LEU   98   3.11 +/- 0.68 100.000% *100.0000% (0.98   3.97  81.94) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 4.23, residual support = 26.4:
        T HA    ILE  103 - QD1   LEU   98   2.70 +/- 0.33  99.157% * 95.3462% (0.25 10.00   4.23  26.41) =  99.979%  kept
        T HA    LEU  104 - QD1   LEU   98   6.29 +/- 0.43   0.657% *  2.9222% (0.76 10.00   0.02   5.96) =   0.020%
          HA    ASP-  86 - QD1   LEU   98  10.29 +/- 1.01   0.048% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   LEU   98   9.01 +/- 1.24   0.113% *  0.1572% (0.41  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  11.91 +/- 0.95   0.018% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  14.85 +/- 1.22   0.005% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  19.04 +/- 1.07   0.001% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  22.44 +/- 1.99   0.000% *  0.3790% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  23.47 +/- 2.50   0.000% *  0.1714% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.771, support = 0.0199, residual support = 0.0199:
          HD1   TRP   27 - QD1   LEU   98  10.03 +/- 1.00  53.562% * 33.8723% (0.84   0.02   0.02) =  60.640%  kept
          QD    PHE   59 - QD1   LEU   98  12.36 +/- 2.02  18.954% * 33.8723% (0.84   0.02   0.02) =  21.458%  kept
          HE21  GLN   30 - QD1   LEU   98  11.50 +/- 1.10  26.529% * 19.7390% (0.49   0.02   0.02) =  17.502%  kept
          HH2   TRP   49 - QD1   LEU   98  20.00 +/- 1.99   0.955% * 12.5164% (0.31   0.02   0.02) =   0.400%
    Distance limit 3.49 A violated in 20 structures by 5.48 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 16.7:
        T QD1   LEU  104 - HB2   LYS+  99   2.37 +/- 0.37  99.961% * 98.4796% (0.69 10.00   2.96  16.67) = 100.000%  kept
        T QD1   LEU   73 - HB2   LYS+  99  10.45 +/- 0.80   0.019% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB2   LYS+  99  11.47 +/- 1.12   0.015% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  15.60 +/- 0.48   0.002% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  17.41 +/- 1.17   0.001% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  16.04 +/- 1.42   0.002% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  17.33 +/- 0.79   0.001% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.47, residual support = 12.6:
        T QD2   LEU   40 - HB2   LYS+  99   3.51 +/- 0.95  94.719% * 96.6996% (0.95 10.00   2.47  12.59) =  99.901%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.94 +/- 0.40   3.072% *  2.9187% (1.00  1.00   0.57   0.02) =   0.098%
          QD1   ILE  103 - HB2   LYS+  99   8.04 +/- 0.65   1.502% *  0.0498% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB2   LYS+  99  10.96 +/- 2.22   0.398% *  0.0987% (0.97  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  99  10.88 +/- 0.81   0.223% *  0.0620% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  13.58 +/- 2.87   0.070% *  0.0316% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.42 +/- 0.96   0.005% *  0.1013% (0.99  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  17.92 +/- 0.74   0.011% *  0.0384% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 4 structures by 0.34 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.8, residual support = 173.7:
      O   HN    LYS+  99 - HB2   LYS+  99   2.78 +/- 0.19  98.759% * 99.4797% (0.31  10.0   4.80 173.68) =  99.999%  kept
          HE1   HIS  122 - HB2   LYS+  99  10.46 +/- 6.70   1.219% *  0.0804% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   LYS+  99  11.71 +/- 0.72   0.021% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  20.78 +/- 1.66   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  24.61 +/- 2.52   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.2, residual support = 173.7:
      O   HN    LYS+  99 - HA    LYS+  99   2.93 +/- 0.02  99.532% * 99.7964% (0.80  10.0   5.20 173.68) = 100.000%  kept
          HE1   HIS  122 - HA    LYS+  99  11.33 +/- 6.49   0.324% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LYS+  99   8.94 +/- 0.74   0.142% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  18.58 +/- 1.87   0.002% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 40.1:
      O   HN    GLU- 100 - HA    LYS+  99   2.18 +/- 0.01 100.000% *100.0000% (0.84  10.0   6.83  40.11) = 100.000%  kept
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.782, support = 5.12, residual support = 186.2:
      O   QE    LYS+  99 - HG2   LYS+  99   2.74 +/- 0.55  39.416% * 79.1619% (0.99  10.0   5.33 173.68) =  71.530%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.46 +/- 0.51  60.314% * 20.5905% (0.26  10.0   4.58 217.50) =  28.470%  kept
          QE    LYS+  38 - HG2   LYS+  99   8.07 +/- 1.30   0.140% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   8.89 +/- 1.32   0.049% *  0.0610% (0.76   1.0   0.02   1.81) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.83 +/- 1.22   0.051% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.34 +/- 0.47   0.024% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  13.00 +/- 1.60   0.005% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  18.13 +/- 0.70   0.000% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.18 +/- 0.71   0.001% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  18.71 +/- 0.55   0.000% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.07, residual support = 173.7:
      O T HA    LYS+  99 - HG2   LYS+  99   2.70 +/- 0.27  79.791% * 98.9579% (0.84  10.0 10.00   7.07 173.68) =  99.988%  kept
          HA    LEU   40 - HG2   LYS+  99   4.02 +/- 0.51   8.169% *  0.0671% (0.57   1.0  1.00   0.02  12.59) =   0.007%
          HA    ASN   35 - HG2   LYS+  38   3.85 +/- 0.31  11.701% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  99 - HG2   LYS+  38   8.66 +/- 0.73   0.096% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   LYS+  99   8.40 +/- 0.92   0.127% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.39 +/- 0.34   0.103% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  16.26 +/- 5.17   0.004% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  16.82 +/- 1.29   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  20.20 +/- 2.25   0.001% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  16.94 +/- 2.50   0.002% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  16.21 +/- 1.48   0.002% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  24.51 +/- 2.37   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  22.62 +/- 4.89   0.000% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.61 +/- 1.23   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  23.29 +/- 1.16   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  30.27 +/- 1.88   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  28.33 +/- 0.92   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.98 +/- 1.26   0.000% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.166, support = 4.55, residual support = 11.0:
          HA    SER   37 - HA    LYS+  38   5.17 +/- 0.02  44.751% * 40.4029% (0.05  1.00   5.56  13.51) =  81.544%  kept
          HA    LEU   40 - HA    GLU- 100   5.55 +/- 0.97  36.987% *  9.5283% (0.80  1.00   0.08   0.02) =  15.894%  kept
          HA    LEU   40 - HA    LYS+  38   6.14 +/- 0.05  16.140% *  3.3266% (0.05  1.00   0.44   0.02) =   2.421%  kept
          HA    SER   37 - HA    GLU- 100   9.86 +/- 1.02   1.011% *  2.4063% (0.76  1.00   0.02   0.02) =   0.110%
          HA    VAL   42 - HA    GLU- 100  10.86 +/- 0.47   0.503% *  0.7010% (0.22  1.00   0.02   0.02) =   0.016%
          HA    GLU-  15 - HA    GLU- 100  17.52 +/- 1.19   0.030% *  2.9785% (0.95  1.00   0.02   0.02) =   0.004%
        T HA    PRO   58 - HA    GLU- 100  25.95 +/- 1.24   0.003% * 29.0659% (0.92 10.00   0.02   0.02) =   0.004%
          HA    SER   13 - HA    GLU- 100  20.18 +/- 2.45   0.016% *  2.9785% (0.95  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HA    GLU- 100  20.32 +/- 1.24   0.013% *  2.4063% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HA    LYS+  38  14.57 +/- 1.33   0.111% *  0.1800% (0.06  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HA    LYS+  38  16.18 +/- 2.32   0.075% *  0.1800% (0.06  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.71 +/- 0.43   0.005% *  2.6300% (0.84  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  12.06 +/- 0.21   0.283% *  0.0424% (0.01  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    GLU- 100  20.30 +/- 4.79   0.017% *  0.6231% (0.20  1.00   0.02   0.02) =   0.000%
        T HA    PRO   58 - HA    LYS+  38  26.02 +/- 0.97   0.003% *  1.7563% (0.06 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  18.33 +/- 1.48   0.028% *  0.1454% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  26.93 +/- 2.46   0.002% *  0.4261% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  20.78 +/- 4.85   0.016% *  0.0377% (0.01  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.75 +/- 0.31   0.004% *  0.1589% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  27.92 +/- 1.98   0.002% *  0.0257% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 12 structures by 0.95 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   2.95 +/- 0.31  99.256% * 99.9940% (1.00  10.0   3.86  14.95) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   7.32 +/- 0.85   0.744% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.8:
      O   HN    GLU- 100 - HA    GLU- 100   2.23 +/- 0.09  99.184% * 99.9940% (0.84  10.0   6.39  75.85) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   5.10 +/- 0.47   0.816% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3100 (4.00, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 0.759, support = 0.0199, residual support = 0.0199:
        T HA    LYS+  33 - HB2   GLU- 100  13.25 +/- 0.91  11.766% * 28.3278% (1.00 10.00   0.02   0.02) =  46.769%  kept
        T HA    GLN   32 - HB2   GLU- 100  11.97 +/- 0.97  22.803% *  8.7627% (0.31 10.00   0.02   0.02) =  28.039%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.65 +/- 0.73   3.040% * 27.8286% (0.98 10.00   0.02   0.02) =  11.871%  kept
          HA    VAL   70 - HB2   GLU- 100  11.68 +/- 0.74  25.810% *  2.3714% (0.84  1.00   0.02   0.02) =   8.588%  kept
          HB2   SER   37 - HB2   GLU- 100  11.14 +/- 1.00  34.152% *  0.5618% (0.20  1.00   0.02   0.02) =   2.693%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.65 +/- 2.21   0.434% * 23.7140% (0.84 10.00   0.02   0.02) =   1.444%  kept
          HA    VAL   18 - HB2   GLU- 100  19.62 +/- 0.90   1.124% *  2.7399% (0.97  1.00   0.02   0.02) =   0.432%
          HB2   SER   82 - HB2   GLU- 100  26.56 +/- 0.95   0.196% *  2.6208% (0.92  1.00   0.02   0.02) =   0.072%
          HA    ALA   88 - HB2   GLU- 100  22.59 +/- 0.97   0.524% *  0.9684% (0.34  1.00   0.02   0.02) =   0.071%
          HA    SER   48 - HB2   GLU- 100  31.25 +/- 1.01   0.071% *  1.6074% (0.57  1.00   0.02   0.02) =   0.016%
          HD2   PRO   52 - HB2   GLU- 100  30.71 +/- 0.67   0.079% *  0.4972% (0.18  1.00   0.02   0.02) =   0.006%
    Distance limit 3.33 A violated in 20 structures by 5.94 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.29, residual support = 40.1:
          HG2   LYS+  99 - HG2   GLU- 100   3.64 +/- 0.46  80.534% * 97.5063% (0.45   5.30  40.11) =  99.885%  kept
          HG2   LYS+  38 - HG2   GLU- 100   5.24 +/- 1.04  19.377% *  0.4646% (0.57   0.02   0.02) =   0.115%
          HB2   LEU   31 - HG2   GLU- 100  11.77 +/- 1.27   0.080% *  0.1437% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  18.81 +/- 0.83   0.004% *  0.7359% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  20.91 +/- 1.13   0.002% *  0.8044% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  21.19 +/- 1.00   0.002% *  0.1624% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  27.13 +/- 2.33   0.000% *  0.1827% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 3 structures by 0.37 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.1, residual support = 40.0:
          HG2   LYS+  99 - HG3   GLU- 100   2.83 +/- 1.05  79.912% * 96.8070% (0.45   4.11  40.11) =  99.846%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.83 +/- 1.65  20.042% *  0.5949% (0.57   0.02   0.02) =   0.154%
          HB2   LEU   31 - HG3   GLU- 100  11.81 +/- 1.12   0.042% *  0.1840% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  18.42 +/- 0.91   0.002% *  0.9423% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.52 +/- 0.68   0.001% *  1.0299% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  21.14 +/- 0.81   0.001% *  0.2079% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.39 +/- 3.04   0.000% *  0.2339% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 3 structures by 0.31 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.8:
      O   HA    GLU- 100 - HG3   GLU- 100   3.07 +/- 0.52  82.686% * 99.7364% (1.00  10.0   4.46  75.85) =  99.996%  kept
          HA    LYS+  38 - HG3   GLU- 100   4.76 +/- 1.21  17.312% *  0.0198% (0.20   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HG3   GLU- 100  21.81 +/- 1.01   0.001% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  27.38 +/- 1.74   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYSS  53 - HG3   GLU- 100  27.73 +/- 1.07   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.32, residual support = 75.8:
          HN    GLU- 100 - HG3   GLU- 100   2.76 +/- 0.54 100.000% *100.0000% (0.97   4.32  75.85) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.51, residual support = 75.8:
          HN    GLU- 100 - HG2   GLU- 100   3.12 +/- 0.84 100.000% *100.0000% (0.84   6.51  75.85) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 158.8:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.60 +/- 0.09  99.413% * 99.6342% (1.00  10.0   4.63 158.76) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.20 +/- 1.37   0.428% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   8.35 +/- 0.23   0.092% *  0.0272% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41   9.99 +/- 0.40   0.032% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  11.92 +/- 1.46   0.014% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.97 +/- 1.35   0.005% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  11.75 +/- 0.61   0.013% *  0.0290% (0.29   1.0   0.02   0.25) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  14.77 +/- 0.81   0.003% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.14 +/- 0.41  99.610% * 98.9424% (1.00   5.44  22.39) =  99.999%  kept
          HN    ILE  103 - HB    VAL   41   8.45 +/- 0.82   0.370% *  0.1635% (0.45   0.02   0.02) =   0.001%
          HN    GLN   90 - QB    LYS+ 102  17.74 +/- 0.86   0.004% *  0.3443% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  16.79 +/- 0.54   0.005% *  0.1547% (0.43   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  18.18 +/- 0.70   0.003% *  0.1915% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  17.88 +/- 0.66   0.004% *  0.0860% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.68 +/- 0.86   0.003% *  0.0364% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  21.70 +/- 0.91   0.001% *  0.0810% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.42, residual support = 158.8:
          HN    LYS+ 102 - HG2   LYS+ 102   3.60 +/- 0.51  98.788% * 99.2114% (0.73   4.42 158.76) =  99.997%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.48 +/- 1.55   1.121% *  0.2322% (0.38   0.02   0.02) =   0.003%
          HN    GLU-  36 - HG2   LYS+ 102  15.40 +/- 2.06   0.022% *  0.3255% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  13.39 +/- 1.96   0.056% *  0.1084% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  17.00 +/- 1.23   0.014% *  0.1225% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.59, support = 0.0198, residual support = 0.0198:
        T QB    SER  117 - HA    ILE  103  13.39 +/- 1.76  17.192% *  7.5887% (0.34 10.00   0.02   0.02) =  38.145%  kept
        T QB    SER   85 - HA    ILE  103  16.28 +/- 0.67   4.765% * 19.9520% (0.90 10.00   0.02   0.02) =  27.794%  kept
          HA    LYS+ 121 - HA    ILE  103  13.75 +/- 3.79  17.774% *  1.5282% (0.69  1.00   0.02   0.02) =   7.941%  kept
          HB    THR   94 - HA    ILE  103  13.47 +/- 0.43  14.929% *  1.7002% (0.76  1.00   0.02   0.02) =   7.421%  kept
          HA2   GLY   16 - HA    THR   39  13.39 +/- 2.12  21.249% *  0.6592% (0.30  1.00   0.02   0.02) =   4.095%  kept
        T QB    SER   48 - HA    ILE  103  23.08 +/- 0.75   0.591% * 19.2979% (0.87 10.00   0.02   0.02) =   3.333%  kept
          HA    ALA  120 - HA    ILE  103  16.66 +/- 2.62   4.559% *  2.2050% (0.99  1.00   0.02   0.02) =   2.939%  kept
        T QB    SER  117 - HA    THR   39  19.47 +/- 1.73   1.659% *  2.5072% (0.11 10.00   0.02   0.02) =   1.216%  kept
          HA    LYS+  65 - HA    THR   39  15.78 +/- 1.19   5.893% *  0.6139% (0.28  1.00   0.02   0.02) =   1.058%  kept
        T HA2   GLY   51 - HA    ILE  103  26.41 +/- 0.56   0.253% * 13.4936% (0.61 10.00   0.02   0.02) =   0.997%  kept
        T QB    SER   85 - HA    THR   39  23.61 +/- 0.45   0.495% *  6.5917% (0.30 10.00   0.02   0.02) =   0.955%  kept
        T HD2   PRO   52 - HA    ILE  103  23.03 +/- 0.66   0.570% *  5.5474% (0.25 10.00   0.02   0.02) =   0.925%  kept
          HA    LYS+  65 - HA    ILE  103  20.28 +/- 1.02   1.285% *  1.8582% (0.84  1.00   0.02   0.02) =   0.698%  kept
          HA    LYS+ 121 - HA    THR   39  17.70 +/- 4.25   3.861% *  0.5049% (0.23  1.00   0.02   0.02) =   0.570%  kept
          HA    ALA  120 - HA    THR   39  18.80 +/- 3.61   2.518% *  0.7285% (0.33  1.00   0.02   0.02) =   0.536%  kept
          HA2   GLY   16 - HA    ILE  103  21.57 +/- 1.38   0.865% *  1.9952% (0.90  1.00   0.02   0.02) =   0.505%  kept
        T QB    SER   48 - HA    THR   39  26.50 +/- 0.82   0.259% *  6.3756% (0.29 10.00   0.02   0.02) =   0.483%
          HB    THR   94 - HA    THR   39  21.00 +/- 0.70   1.019% *  0.5617% (0.25  1.00   0.02   0.02) =   0.167%
        T HA2   GLY   51 - HA    THR   39  30.97 +/- 1.27   0.104% *  4.4580% (0.20 10.00   0.02   0.02) =   0.135%
        T HD2   PRO   52 - HA    THR   39  28.42 +/- 0.57   0.161% *  1.8327% (0.08 10.00   0.02   0.02) =   0.086%
    Distance limit 3.07 A violated in 20 structures by 6.60 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.01, residual support = 36.6:
      O   HN    LEU  104 - HA    ILE  103   2.28 +/- 0.10  99.971% * 99.8797% (0.92  10.0   6.01  36.59) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.47 +/- 0.80   0.023% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.31 +/- 0.56   0.004% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.37 +/- 0.42   0.002% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 3.64, residual support = 37.1:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.02  95.754% * 72.8837% (0.33  10.0   3.64  37.34) =  98.544%  kept
          HN    LYS+ 102 - HA    ILE  103   4.89 +/- 0.18   3.957% * 26.0569% (0.65   1.0   3.62  22.39) =   1.456%  kept
          HN    GLU-  36 - HA    THR   39   8.05 +/- 0.15   0.197% *  0.0614% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.49 +/- 0.65   0.015% *  0.2221% (1.00   1.0   0.02   0.57) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.43 +/- 1.26   0.054% *  0.0476% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  13.20 +/- 0.32   0.010% *  0.2206% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.57 +/- 0.55   0.004% *  0.1859% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.66 +/- 0.60   0.002% *  0.1083% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  16.29 +/- 0.48   0.003% *  0.0440% (0.20   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.60 +/- 0.60   0.002% *  0.0358% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  19.86 +/- 0.50   0.001% *  0.0734% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  19.21 +/- 0.77   0.001% *  0.0343% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  19.44 +/- 1.11   0.001% *  0.0113% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.29 +/- 0.35   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.23, residual support = 26.4:
        T QD1   LEU   98 - HA    ILE  103   2.70 +/- 0.33  99.930% * 99.6453% (0.41 10.00   4.23  26.41) = 100.000%  kept
          QG2   ILE   19 - HA    THR   39  11.69 +/- 0.58   0.020% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    THR   39  10.22 +/- 0.65   0.045% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  15.05 +/- 0.61   0.004% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.4, support = 2.29, residual support = 3.8:
          HN    ASP- 105 - QG2   ILE  103   3.43 +/- 0.31  97.250% * 25.4566% (0.38   2.21   2.39) =  92.918%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.38 +/- 0.15   2.550% * 73.9913% (0.73   3.32  22.39) =   7.081%  kept
          HD1   TRP   87 - QG2   ILE  103  10.27 +/- 0.71   0.160% *  0.1215% (0.20   0.02   0.57) =   0.001%
          HN    GLU-  36 - QG2   ILE  103  15.64 +/- 0.48   0.013% *  0.3230% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.62 +/- 0.27   0.028% *  0.1075% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.64, residual support = 36.6:
          HN    LEU  104 - QG2   ILE  103   2.46 +/- 0.38  99.996% * 99.9412% (0.90   6.64  36.59) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.73 +/- 0.56   0.004% *  0.0588% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 138.2:
      O   HN    ILE  103 - HB    ILE  103   2.10 +/- 0.07  99.998% * 99.8308% (1.00  10.0   6.72 138.17) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  14.88 +/- 0.87   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.62 +/- 0.73   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  20.51 +/- 0.98   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 138.2:
      O T HA    ILE  103 - HG12  ILE  103   2.45 +/- 0.25  99.674% * 97.9216% (0.20  10.0 10.00   5.98 138.17) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.50 +/- 0.21   0.304% *  0.3001% (0.61   1.0  1.00   0.02  36.59) =   0.001%
          HA    ASP-  86 - HG12  ILE  103  12.57 +/- 1.13   0.008% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  11.64 +/- 1.06   0.010% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  14.27 +/- 0.78   0.003% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  18.31 +/- 1.04   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  24.68 +/- 1.23   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.83 +/- 2.18   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  30.09 +/- 2.81   0.000% *  0.1761% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 138.2:
          HN    ILE  103 - HG12  ILE  103   3.07 +/- 0.17  99.978% * 99.5124% (0.80   6.92 138.17) = 100.000%  kept
          HN    GLN   90 - HG12  ILE  103  14.02 +/- 0.63   0.012% *  0.2722% (0.76   0.02   0.02) =   0.000%
          HN    GLY  109 - HG12  ILE  103  15.27 +/- 0.71   0.008% *  0.1514% (0.42   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  18.74 +/- 0.86   0.002% *  0.0641% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.31, residual support = 138.2:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.991% * 99.2748% (0.58  10.0 10.00   4.31 138.17) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.74 +/- 0.59   0.007% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.20 +/- 0.93   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.77 +/- 0.79   0.001% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.89 +/- 1.67   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.93 +/- 1.78   0.000% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.461, support = 4.74, residual support = 138.2:
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.01  90.632% * 32.5765% (0.39  10.0 10.00   4.62 138.17) =  82.709%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.15 +/- 0.14   9.243% * 66.7776% (0.80  10.0 10.00   5.31 138.17) =  17.291%  kept
          QD2   LEU   40 - HG12  ILE  103   6.75 +/- 0.73   0.118% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.09 +/- 0.78   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  13.48 +/- 2.35   0.003% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.80 +/- 1.00   0.001% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  14.99 +/- 1.63   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  18.44 +/- 1.12   0.000% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.05, residual support = 26.4:
          QD1   LEU   98 - HG12  ILE  103   2.03 +/- 0.35  99.999% * 99.7149% (0.72   5.05  26.41) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.87 +/- 0.82   0.001% *  0.2851% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.769, support = 4.04, residual support = 138.2:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.01  65.234% * 82.5087% (0.84  10.0   3.97 138.17) =  89.950%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.39 +/- 0.17  34.763% * 17.2996% (0.18  10.0   4.66 138.17) =  10.050%  kept
          QD2   LEU   71 - HG13  ILE  103  13.26 +/- 0.89   0.001% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  14.11 +/- 1.66   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.79 +/- 0.88   0.000% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 26.4:
          QD1   LEU   98 - HG13  ILE  103   2.68 +/- 0.52  99.993% * 99.4121% (0.90   2.44  26.41) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.87 +/- 0.85   0.007% *  0.5879% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.549, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  11.60 +/- 0.82  44.795% * 17.5479% (0.45   0.02   0.02) =  39.181%  kept
          QD    PHE   59 - QD1   ILE  103  12.32 +/- 1.79  36.185% * 17.5479% (0.45   0.02   0.02) =  31.650%  kept
          HE21  GLN   30 - QD1   ILE  103  13.99 +/- 1.58  16.359% * 30.1124% (0.77   0.02   0.02) =  24.554%  kept
          HH2   TRP   49 - QD1   ILE  103  18.84 +/- 1.87   2.661% * 34.7918% (0.89   0.02   0.02) =   4.615%  kept
    Distance limit 3.94 A violated in 20 structures by 6.10 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.528, support = 0.41, residual support = 0.57:
          HE3   TRP   87 - QD1   ILE  103   5.16 +/- 0.96  91.676% * 56.4702% (0.52   0.42   0.57) =  95.881%  kept
          HN    TRP   87 - QD1   ILE  103   8.18 +/- 0.78   6.509% * 33.7612% (0.67   0.20   0.57) =   4.070%  kept
          HN    ALA   91 - QD1   ILE  103  11.22 +/- 0.79   1.418% *  1.0583% (0.21   0.02   0.02) =   0.028%
          HD21  ASN   69 - QD1   ILE  103  15.76 +/- 1.01   0.204% *  3.2653% (0.63   0.02   0.02) =   0.012%
          HN    GLN   17 - QD1   ILE  103  18.15 +/- 1.14   0.075% *  4.1234% (0.80   0.02   0.02) =   0.006%
          HN    ALA   61 - QD1   ILE  103  16.76 +/- 1.04   0.120% *  1.3217% (0.26   0.02   0.02) =   0.003%
    Distance limit 3.60 A violated in 14 structures by 1.49 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 138.2:
          HN    ILE  103 - QD1   ILE  103   3.47 +/- 0.66  99.609% * 99.4063% (0.92   5.68 138.17) =  99.999%  kept
          HN    GLN   90 - QD1   ILE  103  10.47 +/- 0.74   0.226% *  0.3314% (0.87   0.02   0.02) =   0.001%
          HN    GLY  109 - QD1   ILE  103  11.66 +/- 1.01   0.141% *  0.1843% (0.49   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  14.99 +/- 0.78   0.024% *  0.0780% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 138.2:
      O   HA    ILE  103 - HG13  ILE  103   2.71 +/- 0.48  99.093% * 99.0827% (0.73  10.0   5.40 138.17) = 100.000%  kept
          HA    LEU  104 - HG13  ILE  103   6.22 +/- 0.43   0.814% *  0.0379% (0.28   1.0   0.02  36.59) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.73 +/- 0.86   0.044% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  12.62 +/- 1.26   0.026% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  13.82 +/- 0.89   0.013% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  17.50 +/- 0.90   0.002% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  14.15 +/- 0.71   0.006% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  21.37 +/- 0.78   0.001% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.78 +/- 1.38   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  30.54 +/- 2.68   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.14 +/- 2.18   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.23 +/- 0.73   0.000% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 138.2:
          HN    ILE  103 - HG13  ILE  103   4.05 +/- 0.11  99.826% * 99.4578% (1.00   6.22 138.17) = 100.000%  kept
          HN    GLN   90 - HG13  ILE  103  13.08 +/- 0.73   0.096% *  0.3026% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HG13  ILE  103  13.90 +/- 0.63   0.066% *  0.1683% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  18.50 +/- 0.88   0.011% *  0.0712% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.29, residual support = 138.2:
          HN    ILE  103 - QG2   ILE  103   3.50 +/- 0.09  99.831% * 99.2313% (0.69   6.29 138.17) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  11.41 +/- 0.50   0.088% *  0.4430% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  11.64 +/- 0.65   0.080% *  0.2235% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  21.41 +/- 1.51   0.002% *  0.1022% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.34 +/- 0.12  99.959% * 98.7655% (0.38   4.78  22.39) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  21.46 +/- 0.81   0.007% *  1.0165% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.61 +/- 0.59   0.034% *  0.2179% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.33 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.63, residual support = 17.0:
        T HB2   PHE   97 - HB2   LEU  104   3.11 +/- 0.59  92.100% * 95.7119% (0.82 10.00   4.63  17.06) =  99.889%  kept
          QE    LYS+ 106 - HB2   LEU  104   6.71 +/- 1.28   2.363% *  4.0960% (0.78  1.00   0.90   0.02) =   0.110%
          QE    LYS+  99 - HB2   LEU  104   5.90 +/- 0.83   5.524% *  0.0252% (0.22  1.00   0.02  16.67) =   0.002%
          HB3   PHE   60 - HB2   LEU  104  15.79 +/- 1.54   0.010% *  0.0735% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  17.37 +/- 0.75   0.004% *  0.0934% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.39, residual support = 41.4:
          HN    ASP- 105 - HB2   LEU  104   2.24 +/- 0.29  99.999% * 99.8759% (0.82   6.39  41.44) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  16.93 +/- 0.68   0.001% *  0.1241% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.39, residual support = 219.0:
      O   HN    LEU  104 - HB2   LEU  104   2.51 +/- 0.10  99.996% * 99.7579% (0.36  10.0   7.39 218.98) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.45 +/- 0.59   0.004% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.88, residual support = 219.0:
      O   HN    LEU  104 - HB3   LEU  104   3.66 +/- 0.06  99.976% * 99.9343% (0.71  10.0   6.88 218.98) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  14.81 +/- 0.70   0.024% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.44, residual support = 219.0:
          HN    LEU  104 - HG    LEU  104   3.25 +/- 0.35  99.984% * 99.8237% (0.92   7.44 218.98) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  14.11 +/- 0.95   0.016% *  0.1763% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 1.5, residual support = 16.6:
          HN    LYS+  99 - HG    LEU  104   3.54 +/- 0.52  89.359% * 96.3289% (0.98   1.50  16.67) =  99.839%  kept
          HE1   HIS  122 - HG    LEU  104   9.45 +/- 6.81  10.629% *  1.3074% (1.00   0.02   0.02) =   0.161%
          HN    GLN   30 - HG    LEU  104  17.44 +/- 0.90   0.007% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  22.55 +/- 1.96   0.002% *  1.2844% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  19.28 +/- 0.95   0.004% *  0.4918% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 6.62, residual support = 201.3:
          HN    LEU  104 - QD1   LEU  104   3.98 +/- 0.57  70.168% * 77.5597% (0.40   6.88 218.98) =  90.136%  kept
          HN    PHE   72 - QD1   LEU   73   5.02 +/- 0.74  27.421% * 21.7088% (0.18   4.31  40.11) =   9.859%  kept
          HN    PHE   72 - QD1   LEU   63   8.13 +/- 0.91   1.541% *  0.1008% (0.18   0.02  17.12) =   0.003%
          HN    PHE   72 - QD1   LEU  104  11.36 +/- 0.89   0.147% *  0.5475% (0.96   0.02   0.02) =   0.001%
          HN    LEU  104 - QD1   LEU   63   9.57 +/- 0.84   0.433% *  0.0416% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  10.19 +/- 0.64   0.290% *  0.0416% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 2.96, residual support = 16.7:
        T HB2   LYS+  99 - QD1   LEU  104   2.37 +/- 0.37  97.711% * 97.1108% (0.40 10.00   2.96  16.67) =  99.999%  kept
          HB    VAL   43 - QD1   LEU   73   4.96 +/- 0.72   2.094% *  0.0229% (0.09  1.00   0.02   8.77) =   0.001%
        T HB    VAL   43 - QD1   LEU  104  10.09 +/- 0.72   0.023% *  1.2428% (0.51 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  10.45 +/- 0.80   0.019% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  11.47 +/- 1.12   0.014% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.02 +/- 0.71   0.110% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  15.64 +/- 0.74   0.002% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  10.63 +/- 0.62   0.017% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  12.55 +/- 0.94   0.006% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.96 +/- 0.65   0.003% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  21.02 +/- 0.69   0.000% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  16.55 +/- 0.97   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 16.7:
          HB2   LYS+  99 - QD2   LEU  104   2.58 +/- 0.43  96.729% * 87.1245% (0.90  1.00   2.00  16.67) =  99.993%  kept
        T HB    VAL   43 - QD2   LEU  104  10.32 +/- 1.00   0.027% *  9.3754% (0.97 10.00   0.02   0.02) =   0.003%
        T HB    VAL   43 - QG1   VAL   41   7.42 +/- 0.33   0.224% *  0.5036% (0.05 10.00   0.02   1.29) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   5.84 +/- 0.80   1.477% *  0.0468% (0.05  1.00   0.02   0.02) =   0.001%
        T HB    VAL   43 - QG2   VAL   18  10.07 +/- 0.74   0.042% *  1.4406% (0.15 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   18   5.67 +/- 0.57   1.488% *  0.0372% (0.04  1.00   0.02  50.11) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  15.09 +/- 1.12   0.004% *  0.1378% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  20.96 +/- 1.18   0.000% *  0.8968% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   18  15.85 +/- 0.92   0.003% *  0.1339% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.81 +/- 1.35   0.001% *  0.2422% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  17.72 +/- 0.68   0.001% *  0.0482% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.42 +/- 0.94   0.004% *  0.0130% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.53, residual support = 43.4:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.863% * 98.4679% (0.72  10.0 10.00   3.53  43.37) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.35 +/- 0.30   0.130% *  0.1263% (0.93   1.0  1.00   0.02  23.13) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   9.05 +/- 0.30   0.005% *  0.0885% (0.65   1.0  1.00   0.02   2.39) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.64 +/- 0.86   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  13.85 +/- 2.01   0.001% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  15.19 +/- 2.58   0.001% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  18.44 +/- 0.91   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.84 +/- 0.90   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.39 +/- 0.87   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.62 +/- 1.03   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  16.83 +/- 1.77   0.000% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  20.93 +/- 1.63   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.55 +/- 0.76   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.5, residual support = 4.84:
        T QG2   THR  118 - HB2   ASP- 105   3.46 +/- 3.22 100.000% *100.0000% (0.54 10.00   1.50   4.84) = 100.000%  kept
    Distance limit 3.23 A violated in 2 structures by 0.93 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.5, residual support = 4.84:
        T QG2   THR  118 - HB3   ASP- 105   3.56 +/- 3.40 100.000% *100.0000% (0.57 10.00   1.50   4.84) = 100.000%  kept
    Distance limit 3.44 A violated in 2 structures by 0.87 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.869, support = 4.16, residual support = 36.1:
          QE    LYS+ 106 - HB2   ASP- 105   4.42 +/- 1.23  58.063% * 47.1133% (0.85   4.06  23.13) =  55.703%  kept
          HB2   PHE   97 - HB2   ASP- 105   4.63 +/- 0.67  41.518% * 52.3954% (0.89   4.28  52.39) =  44.296%  kept
          QE    LYS+  99 - HB2   ASP- 105  10.01 +/- 0.97   0.359% *  0.0645% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  13.75 +/- 1.24   0.055% *  0.1879% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  18.89 +/- 1.06   0.006% *  0.2389% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.807, support = 3.65, residual support = 48.5:
        T HB2   PHE   97 - HB3   ASP- 105   3.78 +/- 0.66  75.118% * 67.7091% (0.87 10.00   3.61  52.39) =  86.765%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   5.19 +/- 1.34  24.176% * 32.0903% (0.41 10.00   3.94  23.13) =  13.235%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.99 +/- 1.07   0.546% *  0.0567% (0.73  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HB3   ASP- 105  11.57 +/- 0.70   0.105% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.57 +/- 1.15   0.043% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  18.32 +/- 1.09   0.006% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  18.09 +/- 1.31   0.006% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.23, residual support = 43.4:
      O T HA    ASP- 105 - HB3   ASP- 105   2.92 +/- 0.20  99.999% * 99.8608% (0.87  10.0 10.00   3.23  43.37) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  22.38 +/- 0.76   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  25.06 +/- 1.01   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  23.67 +/- 1.00   0.000% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.7, residual support = 43.4:
      O   HN    ASP- 105 - HB3   ASP- 105   2.94 +/- 0.35  99.997% * 99.9603% (0.95  10.0   4.70  43.37) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  16.83 +/- 0.80   0.003% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.87, residual support = 23.1:
          HN    LYS+ 106 - HB3   ASP- 105   3.63 +/- 0.37  99.707% * 99.5465% (0.18   3.87  23.13) =  99.999%  kept
          HN    VAL   41 - HB3   ASP- 105  10.46 +/- 0.91   0.293% *  0.4535% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.16, residual support = 52.4:
          QD    PHE   97 - HB2   ASP- 105   4.56 +/- 0.97  99.862% * 99.2571% (0.87   3.16  52.39) =  99.999%  kept
          HZ3   TRP   87 - HB2   ASP- 105  15.34 +/- 1.27   0.129% *  0.5912% (0.82   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB2   ASP- 105  23.83 +/- 1.11   0.009% *  0.1517% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 8 structures by 0.70 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.83, residual support = 43.4:
      O   HN    ASP- 105 - HB2   ASP- 105   3.68 +/- 0.22  99.987% * 99.9603% (0.89  10.0   4.83  43.37) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  16.72 +/- 0.90   0.013% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.87, residual support = 23.1:
          HN    LYS+ 106 - HB2   ASP- 105   2.83 +/- 0.29  99.970% * 99.5470% (0.17   3.87  23.13) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  11.55 +/- 0.75   0.030% *  0.4530% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.987, residual support = 1.97:
        T HA    MET   96 - HA    LYS+ 106   3.12 +/- 0.35  99.953% * 99.9124% (0.87 10.00   0.99   1.97) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.47 +/- 0.32   0.047% *  0.0876% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.38, residual support = 8.77:
          QD    PHE   97 - HA    LYS+ 106   3.74 +/- 0.94  99.767% * 99.5078% (0.45   3.38   8.77) =  99.999%  kept
          HZ3   TRP   87 - HA    LYS+ 106  12.35 +/- 0.94   0.233% *  0.4922% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 2 structures by 0.38 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.47, residual support = 8.77:
          HN    PHE   97 - HA    LYS+ 106   3.74 +/- 0.40  99.371% * 98.9490% (0.90   2.47   8.77) =  99.996%  kept
          HN    LEU  115 - HA    LYS+ 106   9.35 +/- 0.96   0.486% *  0.8023% (0.90   0.02   0.02) =   0.004%
          HN    ASP- 113 - HA    LYS+ 106  12.36 +/- 1.12   0.143% *  0.2487% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 136.2:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.89 +/- 0.02 100.000% *100.0000% (0.61  10.0   5.18 136.19) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.8:
      O   HN    VAL  107 - HA    LYS+ 106   2.22 +/- 0.04 100.000% * 99.8992% (0.99  10.0   4.58  26.78) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  18.57 +/- 0.74   0.000% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.39, residual support = 136.2:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.30 +/- 0.05  99.888% * 99.9120% (0.18  10.0   5.39 136.19) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.31 +/- 0.45   0.112% *  0.0880% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.13, residual support = 26.8:
          HN    VAL  107 - QB    LYS+ 106   3.17 +/- 0.13  99.995% * 99.6085% (0.99   5.13  26.78) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  16.70 +/- 0.84   0.005% *  0.3915% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.607, support = 5.95, residual support = 136.2:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.43 +/- 0.03  99.723% * 94.0497% (0.61  10.0 10.00   5.95 136.19) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.38 +/- 0.55   0.142% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.57 +/- 1.13   0.011% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.33 +/- 2.47   0.060% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106   9.95 +/- 0.56   0.022% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  11.67 +/- 1.14   0.009% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  17.52 +/- 1.08   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  17.79 +/- 0.77   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.48 +/- 1.06   0.005% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.02 +/- 0.51   0.021% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  14.44 +/- 0.45   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  14.10 +/- 1.19   0.003% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  22.66 +/- 1.75   0.000% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.73, residual support = 5.46:
          QG2   VAL  108 - QB    LYS+ 106   2.97 +/- 0.15  99.203% * 98.4931% (1.00   2.73   5.47) =  99.994%  kept
          HB2   LEU  104 - QB    LYS+ 106   6.94 +/- 0.27   0.646% *  0.7083% (0.98   0.02   0.02) =   0.005%
          QD1   ILE  119 - QB    LYS+ 106   9.41 +/- 1.48   0.141% *  0.5522% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  14.02 +/- 0.92   0.010% *  0.2465% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 4.52, residual support = 26.1:
          QG2   VAL  107 - QB    LYS+ 106   5.47 +/- 0.14   9.159% * 98.7141% (0.76   4.64  26.78) =  97.430%  kept
          HG13  ILE  103 - QB    LYS+ 106   4.93 +/- 0.56  24.327% *  0.5558% (1.00   0.02   0.02) =   1.457%  kept
          QG2   THR   94 - QB    LYS+ 106   3.99 +/- 0.56  66.225% *  0.1549% (0.28   0.02   0.02) =   1.105%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.79 +/- 2.48   0.224% *  0.2931% (0.53   0.02   0.02) =   0.007%
          HB3   LYS+ 112 - QB    LYS+ 106  13.65 +/- 0.98   0.047% *  0.1719% (0.31   0.02   0.02) =   0.001%
          QB    ALA   20 - QB    LYS+ 106  15.32 +/- 0.53   0.018% *  0.1102% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 4.75, residual support = 100.7:
          HN    LYS+  81 - QG    LYS+  81   2.32 +/- 0.43  99.859% * 81.5492% (0.13   4.75 100.71) =  99.998%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.66 +/- 1.19   0.040% *  2.5282% (0.98   0.02   0.02) =   0.001%
          QE    PHE   95 - HG2   LYS+ 106  10.34 +/- 1.14   0.050% *  0.8856% (0.34   0.02   0.02) =   0.001%
          HN    THR   23 - QG    LYS+  81  10.10 +/- 0.63   0.021% *  0.6497% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  12.48 +/- 0.88   0.007% *  1.2104% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.59 +/- 0.90   0.004% *  1.3570% (0.53   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  13.51 +/- 1.16   0.008% *  0.6991% (0.27   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.82 +/- 0.76   0.002% *  1.5333% (0.59   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.42 +/- 1.75   0.001% *  1.4797% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  16.61 +/- 1.25   0.001% *  1.4603% (0.57   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  14.78 +/- 1.20   0.003% *  0.5104% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  17.53 +/- 0.81   0.001% *  1.1682% (0.45   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.62 +/- 0.98   0.000% *  0.8230% (0.32   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.74 +/- 1.16   0.000% *  2.4399% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.41 +/- 1.06   0.001% *  0.4349% (0.17   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  18.02 +/- 0.95   0.001% *  0.3096% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.35 +/- 0.88   0.000% *  0.7171% (0.28   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  23.59 +/- 0.81   0.000% *  0.2444% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.271, support = 0.782, residual support = 1.56:
          HN    GLU-  79 - QG    LYS+  81   3.83 +/- 0.19  99.152% * 81.9305% (0.27   0.78   1.56) =  99.976%  kept
          HN    VAL   70 - HG2   LYS+  33  10.07 +/- 1.33   0.412% *  3.7632% (0.49   0.02   0.02) =   0.019%
          HN    THR   94 - HG2   LYS+ 106  10.65 +/- 0.59   0.237% *  0.9279% (0.12   0.02   0.02) =   0.003%
          HN    THR   94 - QG    LYS+  81  11.51 +/- 1.09   0.171% *  0.7325% (0.09   0.02   0.02) =   0.002%
          HN    VAL   70 - HG2   LYS+ 106  17.79 +/- 0.71   0.011% *  2.2823% (0.30   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.36 +/- 0.86   0.005% *  4.3771% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.71 +/- 1.00   0.006% *  2.6546% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.03 +/- 0.98   0.005% *  1.5300% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.51 +/- 0.39   0.002% *  1.8018% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 136.2:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.33 +/- 0.09  99.965% * 99.8764% (0.18  10.0   5.66 136.19) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.47 +/- 1.16   0.027% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  17.58 +/- 1.18   0.005% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.32 +/- 0.67   0.003% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.31, residual support = 45.7:
        T HB2   PHE   95 - HB    VAL  107   2.49 +/- 0.51 100.000% *100.0000% (0.69 10.00   4.31  45.74) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 58.2:
      O T QG2   VAL  107 - HB    VAL  107   2.12 +/- 0.02  99.774% * 99.7352% (0.72  10.0 10.00   3.20  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.26 +/- 2.00   0.211% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  11.23 +/- 2.17   0.006% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.74 +/- 0.91   0.007% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  15.96 +/- 0.81   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.87 +/- 0.86   0.000% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.62, residual support = 58.2:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.01  99.766% * 99.5954% (0.71  10.0 10.00   3.62  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.26 +/- 2.00   0.224% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  10.78 +/- 1.47   0.009% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HB    VAL  107  16.79 +/- 0.82   0.000% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.81 +/- 1.13   0.000% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.87 +/- 0.86   0.000% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.686, support = 0.551, residual support = 4.27:
          QD2   LEU  115 - HB    VAL  107   6.15 +/- 1.23  30.816% * 66.8562% (0.67   0.75   7.39) =  57.572%  kept
          QD1   LEU   63 - HB    VAL  107   5.25 +/- 1.06  56.114% * 26.8445% (0.71   0.28   0.02) =  42.094%  kept
          QD2   LEU   63 - HB    VAL  107   6.88 +/- 1.28  12.052% *  0.8659% (0.33   0.02   0.02) =   0.292%
          QD1   LEU  104 - HB    VAL  107  10.64 +/- 0.48   0.563% *  1.3266% (0.50   0.02   0.02) =   0.021%
          QD1   LEU   73 - HB    VAL  107  11.83 +/- 0.73   0.315% *  1.8931% (0.71   0.02   0.02) =   0.017%
          QD2   LEU   80 - HB    VAL  107  14.67 +/- 1.00   0.087% *  1.7321% (0.65   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB    VAL  107  15.89 +/- 1.00   0.054% *  0.4816% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 3 structures by 0.67 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.85, residual support = 45.7:
          QD    PHE   95 - HB    VAL  107   2.27 +/- 0.46  99.994% * 99.8339% (0.63   3.85  45.74) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  12.87 +/- 0.64   0.006% *  0.1661% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.324, support = 0.0199, residual support = 2.46:
          QD    PHE   97 - HB    VAL  107   6.07 +/- 0.88  99.480% * 54.4328% (0.33   0.02   2.48) =  99.564%  kept
          HZ3   TRP   87 - HB    VAL  107  15.56 +/- 0.74   0.520% * 45.5672% (0.27   0.02   0.02) =   0.436%
    Distance limit 3.72 A violated in 20 structures by 2.35 A, eliminated.
    Peak unassigned.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 58.2:
      O   HN    VAL  107 - HB    VAL  107   2.37 +/- 0.10  99.999% * 99.8992% (0.72  10.0   3.33  58.23) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  15.50 +/- 0.85   0.001% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.24, residual support = 45.7:
          HN    PHE   95 - HB    VAL  107   3.59 +/- 0.41 100.000% *100.0000% (0.47   3.24  45.74) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.07, residual support = 58.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.06 +/- 0.04  98.389% * 99.3136% (0.99  10.0  1.00   4.07  58.23) =  99.997%  kept
        T HG13  ILE  119 - QG1   VAL  107   5.26 +/- 1.62   1.525% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QG1   VAL  107   7.83 +/- 1.85   0.047% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.35 +/- 0.57   0.013% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24  10.14 +/- 0.29   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  15.93 +/- 0.87   0.000% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.85 +/- 0.38   0.016% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.56 +/- 0.96   0.001% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.24 +/- 0.82   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  14.96 +/- 0.79   0.001% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  23.05 +/- 1.61   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  20.56 +/- 1.72   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 58.2:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.01  99.566% * 99.1597% (0.65  10.0 10.00   3.62  58.23) = 100.000%  kept
          QG    GLU-  79 - QG2   VAL   24   6.66 +/- 0.95   0.155% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG1   VAL  107   6.23 +/- 0.28   0.163% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.38 +/- 0.91   0.076% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24   9.08 +/- 0.94   0.021% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.58 +/- 0.80   0.008% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL  107 - QG2   VAL   24  16.79 +/- 0.82   0.000% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  10.10 +/- 0.63   0.010% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.07 +/- 0.82   0.000% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  18.74 +/- 0.77   0.000% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.43 +/- 0.98   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  21.28 +/- 1.74   0.000% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  17.16 +/- 0.88   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  24.17 +/- 1.52   0.000% *  0.0064% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.2, residual support = 58.2:
      O T HB    VAL  107 - QG2   VAL  107   2.12 +/- 0.02  99.713% * 99.2330% (0.65  10.0 10.00   3.20  58.23) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.58 +/- 1.05   0.162% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   6.80 +/- 0.65   0.106% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   9.20 +/- 0.75   0.018% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  16.04 +/- 0.83   0.001% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.35 +/- 0.75   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  18.22 +/- 0.69   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 0.986, residual support = 4.78:
        T QB    GLU- 114 - QG2   VAL  107   3.51 +/- 0.60  72.528% * 97.4512% (0.65 10.00   0.99   4.79) =  99.877%  kept
          HB2   LYS+ 111 - QG2   VAL  107   4.74 +/- 1.55  25.698% *  0.3025% (0.99  1.00   0.02   0.02) =   0.110%
        T HB    ILE  119 - QG2   VAL  107   7.18 +/- 1.37   1.719% *  0.5345% (0.18 10.00   0.02   0.02) =   0.013%
          HB3   PRO   68 - QG2   VAL  107  16.41 +/- 1.56   0.007% *  0.2444% (0.80  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.18 +/- 0.86   0.010% *  0.1728% (0.57  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  15.47 +/- 2.12   0.011% *  0.1486% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   VAL  107  16.84 +/- 1.07   0.005% *  0.3052% (1.00  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  17.05 +/- 1.19   0.005% *  0.3052% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  16.52 +/- 1.05   0.006% *  0.1255% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  15.99 +/- 0.64   0.007% *  0.0535% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.58 +/- 0.84   0.001% *  0.2887% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.85 +/- 0.41   0.003% *  0.0680% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 4 structures by 0.62 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.365, support = 1.34, residual support = 4.02:
        T QG1   VAL   83 - QG2   VAL   24   2.12 +/- 0.41  83.681% *  6.1533% (0.06 10.00   0.41   0.74) =  55.008%  kept
          QD2   LEU  115 - QG1   VAL  107   4.33 +/- 0.86   4.970% * 61.5343% (0.92  1.00   2.66   7.39) =  32.675%  kept
          QD2   LEU   80 - QG2   VAL   24   3.33 +/- 0.52   9.594% * 11.2707% (0.21  1.00   2.11  10.33) =  11.552%  kept
        T QD1   LEU   63 - QG1   VAL  107   4.75 +/- 0.84   1.246% *  4.9198% (0.98 10.00   0.02   0.02) =   0.655%  kept
        T QD2   LEU   63 - QG1   VAL  107   5.91 +/- 1.05   0.342% *  2.2502% (0.45 10.00   0.02   0.02) =   0.082%
        T QD1   LEU   73 - QG2   VAL   24   7.27 +/- 0.84   0.131% *  1.1692% (0.23 10.00   0.02   0.02) =   0.016%
        T QD1   LEU  104 - QG1   VAL  107   8.61 +/- 0.73   0.023% *  3.4477% (0.69 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   73 - QG1   VAL  107  10.92 +/- 0.75   0.005% *  4.9198% (0.98 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - QG2   VAL   24  13.90 +/- 0.70   0.001% *  1.1692% (0.23 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - QG1   VAL  107  14.56 +/- 0.93   0.001% *  1.2515% (0.25 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  13.64 +/- 1.06   0.002% *  0.4501% (0.90  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   24  14.97 +/- 1.01   0.001% *  0.8194% (0.16 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - QG2   VAL   24  14.54 +/- 1.02   0.001% *  0.5348% (0.11 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   24  18.27 +/- 1.46   0.000% *  0.1101% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.08, residual support = 7.39:
          QD1   LEU  115 - QG2   VAL  107   3.82 +/- 1.05  98.559% * 97.2867% (0.38   1.08   7.39) =  99.959%  kept
          QG1   VAL   75 - QG2   VAL  107  10.00 +/- 0.62   1.441% *  2.7133% (0.57   0.02   0.02) =   0.041%
    Distance limit 3.56 A violated in 4 structures by 0.45 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.87, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107  10.15 +/- 0.94  85.512% * 58.0948% (0.90   0.02   0.02) =  89.110%  kept
          QG2   ILE   19 - QG2   VAL  107  13.91 +/- 0.77  14.488% * 41.9052% (0.65   0.02   0.02) =  10.890%  kept
    Distance limit 3.25 A violated in 20 structures by 6.62 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 58.2:
      O T HA    VAL  107 - QG2   VAL  107   2.57 +/- 0.18  97.955% * 99.4123% (0.45  10.0 10.00   3.63  58.23) =  99.998%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.11 +/- 0.85   1.905% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QG2   VAL  107   9.21 +/- 1.07   0.069% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107   9.18 +/- 0.71   0.069% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  15.94 +/- 0.78   0.002% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.368, support = 0.0199, residual support = 0.852:
        T HB    ILE  119 - QG1   VAL  107   5.85 +/- 1.49  44.638% * 28.3613% (0.25 10.00   0.02   0.02) =  75.168%  kept
          HB2   PRO   93 - QG1   VAL  107   6.46 +/- 1.66  30.529% *  9.5003% (0.84  1.00   0.02   0.02) =  17.221%  kept
          HB    VAL  108 - QG1   VAL  107   6.04 +/- 0.27  17.933% *  5.0993% (0.45  1.00   0.02  15.34) =   5.429%  kept
          HG2   PRO   58 - QG1   VAL  107   8.93 +/- 1.91   4.232% *  7.3579% (0.65  1.00   0.02   0.02) =   1.849%  kept
          HG3   PRO   52 - QG1   VAL  107  11.66 +/- 1.05   0.355% *  7.3579% (0.65  1.00   0.02   0.02) =   0.155%
          HB2   GLN   30 - QG2   VAL   24   8.91 +/- 0.30   1.777% *  0.6740% (0.06  1.00   0.02   0.02) =   0.071%
          HB2   ARG+  54 - QG1   VAL  107  13.20 +/- 0.96   0.176% *  5.9841% (0.53  1.00   0.02   0.02) =   0.063%
          HB2   GLN   30 - QG1   VAL  107  15.62 +/- 0.76   0.059% *  2.8361% (0.25  1.00   0.02   0.02) =   0.010%
          HB2   PRO   93 - QG2   VAL   24  15.45 +/- 0.95   0.073% *  2.2578% (0.20  1.00   0.02   0.02) =   0.010%
          HB3   GLU- 100 - QG1   VAL  107  17.10 +/- 0.63   0.037% *  2.2509% (0.20  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  14 - QG1   VAL  107  21.52 +/- 1.44   0.009% *  8.2592% (0.73  1.00   0.02   0.02) =   0.005%
          HB    VAL  108 - QG2   VAL   24  15.88 +/- 1.30   0.063% *  1.2119% (0.11  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  14 - QG2   VAL   24  17.83 +/- 1.05   0.028% *  1.9628% (0.17  1.00   0.02   0.02) =   0.003%
          HG3   PRO   52 - QG2   VAL   24  18.27 +/- 1.16   0.023% *  1.7486% (0.15  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QG2   VAL   24  16.98 +/- 1.02   0.038% *  0.5349% (0.05  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - QG1   VAL  107  28.62 +/- 1.57   0.002% *  8.6923% (0.76  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - QG2   VAL   24  22.68 +/- 1.06   0.007% *  1.7486% (0.15  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   VAL   24  21.88 +/- 1.52   0.008% *  1.4221% (0.13  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - QG2   VAL   24  24.76 +/- 2.46   0.005% *  2.0658% (0.18  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QG2   VAL   24  22.24 +/- 1.23   0.008% *  0.6740% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 15 structures by 1.21 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.889, support = 1.44, residual support = 7.24:
          HA    LEU  115 - QG1   VAL  107   2.31 +/- 1.60  88.916% * 35.3271% (0.90   1.38   7.39) =  89.863%  kept
          HA    GLU- 114 - QG1   VAL  107   4.12 +/- 0.88   6.025% * 50.0941% (0.92   1.90   4.79) =   8.635%  kept
          HA    ASN   28 - QG2   VAL   24   5.07 +/- 0.30   4.520% * 11.6020% (0.21   1.97  11.89) =   1.500%  kept
          HA    THR   26 - QG2   VAL   24   6.63 +/- 0.20   0.514% *  0.0822% (0.14   0.02   2.79) =   0.001%
          HA    ASN   28 - QG1   VAL  107  17.14 +/- 0.76   0.002% *  0.4945% (0.87   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG1   VAL  107  12.04 +/- 1.08   0.006% *  0.1945% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.29 +/- 0.99   0.002% *  0.5651% (0.99   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  16.81 +/- 0.56   0.002% *  0.5588% (0.98   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   VAL   24  13.71 +/- 0.39   0.006% *  0.1328% (0.23   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   VAL   24  14.13 +/- 2.13   0.003% *  0.1343% (0.24   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.00 +/- 0.78   0.001% *  0.3458% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  13.72 +/- 1.42   0.002% *  0.1422% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - QG2   VAL   24  22.18 +/- 0.91   0.000% *  0.1251% (0.22   0.02   0.02) =   0.000%
          HA    LEU  115 - QG2   VAL   24  20.03 +/- 1.29   0.000% *  0.1215% (0.21   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG2   VAL   24  20.56 +/- 1.35   0.001% *  0.0462% (0.08   0.02   0.02) =   0.000%
          HA    ALA  124 - QG2   VAL   24  26.68 +/- 1.25   0.000% *  0.0338% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 1 structures by 0.05 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.31, residual support = 58.2:
      O T HA    VAL  107 - QG1   VAL  107   2.28 +/- 0.26  99.230% * 99.0400% (0.45  10.0 10.00   4.31  58.23) = 100.000%  kept
          HA    TRP   27 - QG2   VAL   24   5.81 +/- 0.19   0.490% *  0.0439% (0.20   1.0  1.00   0.02  25.79) =   0.000%
          HA    LYS+ 111 - QG1   VAL  107   6.63 +/- 0.62   0.243% *  0.0754% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  11.13 +/- 0.86   0.025% *  0.1340% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.37 +/- 0.81   0.007% *  0.1916% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.06 +/- 0.79   0.002% *  0.1845% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL  107 - QG2   VAL   24  17.69 +/- 0.64   0.001% *  0.2354% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  14.92 +/- 0.76   0.002% *  0.0318% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.42 +/- 0.68   0.000% *  0.0455% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  22.08 +/- 0.97   0.000% *  0.0179% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.163, support = 2.72, residual support = 22.7:
          HD1   TRP   27 - QG2   VAL   24   2.35 +/- 0.73  83.782% * 51.9289% (0.12   3.04  25.79) =  87.123%  kept
          QD    PHE   59 - QG1   VAL  107   4.09 +/- 1.66  16.189% * 39.7189% (0.49   0.55   1.63) =  12.876%  kept
          HE21  GLN   30 - QG2   VAL   24  10.10 +/- 1.53   0.021% *  0.5857% (0.20   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG1   VAL  107  13.82 +/- 1.03   0.004% *  2.8476% (0.97   0.02   0.02) =   0.000%
          HE21  GLN   30 - QG1   VAL  107  16.33 +/- 1.43   0.001% *  2.4646% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   VAL  107  16.40 +/- 0.84   0.001% *  1.4362% (0.49   0.02   0.02) =   0.000%
          QD    PHE   59 - QG2   VAL   24  17.09 +/- 1.64   0.001% *  0.3413% (0.12   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   VAL   24  19.24 +/- 1.21   0.001% *  0.6767% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 45.7:
          QD    PHE   95 - QG2   VAL  107   2.73 +/- 0.62  99.853% * 99.4876% (0.95   3.86  45.74) = 100.000%  kept
          HN    ALA   47 - QG2   VAL  107  10.41 +/- 0.73   0.065% *  0.4169% (0.76   0.02   0.02) =   0.000%
          QE    PHE   72 - QG2   VAL  107   9.76 +/- 1.14   0.082% *  0.0955% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.892, support = 1.49, residual support = 7.34:
          HN    LEU  115 - QG2   VAL  107   3.39 +/- 0.89  91.110% * 90.7831% (0.90   1.50   7.39) =  99.238%  kept
          HN    ASP- 113 - QG2   VAL  107   5.85 +/- 1.18   7.765% *  8.0063% (0.28   0.43   0.02) =   0.746%  kept
          HN    PHE   97 - QG2   VAL  107   8.15 +/- 0.33   1.125% *  1.2106% (0.90   0.02   2.48) =   0.016%
    Distance limit 3.78 A violated in 1 structures by 0.12 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.3:
          HN    VAL  108 - QG2   VAL  107   3.24 +/- 0.12  99.780% * 99.3374% (0.57   3.64  15.34) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  107   9.17 +/- 0.45   0.220% *  0.6626% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 58.2:
          HN    VAL  107 - QG1   VAL  107   2.92 +/- 0.34  99.981% * 99.2323% (0.99   3.84  58.23) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.12 +/- 0.77   0.012% *  0.5211% (1.00   0.02   0.02) =   0.000%
          HN    VAL  107 - QG2   VAL   24  15.65 +/- 0.70   0.005% *  0.1227% (0.24   0.02   0.02) =   0.000%
          HN    GLY   51 - QG2   VAL   24  18.42 +/- 0.65   0.002% *  0.1238% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.662, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.53 +/- 0.56  82.880% * 80.7980% (0.69   0.02   0.02) =  95.321%  kept
          HN    VAL   43 - QG2   VAL   24  11.21 +/- 0.59  17.120% * 19.2020% (0.16   0.02   0.02) =   4.679%  kept
    Distance limit 3.41 A violated in 20 structures by 4.85 A, eliminated.
    Peak unassigned.
 
    Peak 3194 (8.75, 3.67, 43.34 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 2.2, residual support = 6.4:
      O   HN    ALA  110 - HA2   GLY  109   2.95 +/- 0.39  99.949% * 99.9027% (0.99  10.0   2.20   6.40) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  11.21 +/- 1.03   0.051% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.15:
      O   HN    GLY  109 - HA2   GLY  109   2.49 +/- 0.23  99.958% * 99.5895% (0.53  10.0   2.20   9.15) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109   9.56 +/- 1.21   0.040% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  19.24 +/- 0.73   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  19.42 +/- 1.74   0.001% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
      O   HN    VAL  108 - HB    VAL  108   2.90 +/- 0.48  99.934% * 99.8788% (0.57  10.0   4.08  62.13) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  11.25 +/- 1.03   0.066% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.67:
          HN    GLY  109 - QG1   VAL  108   2.66 +/- 0.30  97.475% * 89.7984% (0.14   3.09   7.68) =  99.893%  kept
          HN    GLN   90 - QG1   VAL  108   5.56 +/- 1.39   2.510% *  3.7235% (0.87   0.02   0.02) =   0.107%
          HN    ILE  103 - QG1   VAL  108  12.93 +/- 0.61   0.010% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  14.22 +/- 1.42   0.005% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  21.36 +/- 0.80   0.000% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 62.1:
          HN    VAL  108 - QG1   VAL  108   3.62 +/- 0.06  99.853% * 99.4664% (0.57   4.52  62.13) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  10.87 +/- 0.69   0.147% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
          HN    VAL  108 - QG2   VAL  108   2.67 +/- 0.61  99.808% * 99.4087% (0.57   4.08  62.13) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  108   8.88 +/- 0.71   0.192% *  0.5913% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.791, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.01 +/- 0.83  85.471% * 32.6470% (0.80   0.02   0.02) =  86.756%  kept
          HN    SER   82 - QG2   VAL  108  14.31 +/- 1.14  12.847% * 28.0060% (0.69   0.02   0.02) =  11.186%  kept
          HN    GLY   16 - QG2   VAL  108  19.61 +/- 0.75   1.682% * 39.3470% (0.97   0.02   0.02) =   2.057%  kept
    Distance limit 4.22 A violated in 20 structures by 5.51 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  15.43 +/- 0.86 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.79 A violated in 20 structures by 11.64 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 1.42, residual support = 5.47:
          HA    LYS+ 106 - QG2   VAL  108   4.70 +/- 0.11 100.000% *100.0000% (0.28   1.42   5.47) = 100.000%  kept
    Distance limit 3.94 A violated in 2 structures by 0.76 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.56, residual support = 315.5:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.31 +/- 0.04  99.369% * 98.2964% (0.69  10.0  1.00   6.56 315.48) = 100.000%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.28 +/- 0.85   0.589% *  0.0251% (0.18   1.0  1.00   0.02  27.98) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  11.57 +/- 2.15   0.010% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LYS+ 111  10.11 +/- 1.28   0.022% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.47 +/- 2.06   0.005% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  14.20 +/- 1.37   0.002% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  14.96 +/- 1.07   0.001% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  18.10 +/- 2.18   0.001% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.20 +/- 1.03   0.000% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.40 +/- 2.37   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  20.98 +/- 1.41   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.77 +/- 2.41   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  25.19 +/- 2.09   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.74 +/- 2.25   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.342, support = 3.15, residual support = 25.9:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.68 +/- 1.31  15.556% * 87.4753% (0.31  1.00   3.39  27.98) =  92.665%  kept
          QG2   VAL  107 - HB3   LYS+ 111   3.95 +/- 1.64  84.028% *  1.2764% (0.76  1.00   0.02   0.02) =   7.304%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  13.78 +/- 1.70   0.030% *  8.7870% (0.53 10.00   0.02   0.02) =   0.018%
          QG2   THR   94 - HB3   LYS+ 111   8.95 +/- 1.33   0.374% *  0.4644% (0.28  1.00   0.02   0.02) =   0.012%
          HG13  ILE  103 - HB3   LYS+ 111  15.86 +/- 2.00   0.010% *  1.6664% (1.00  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 111  20.44 +/- 1.06   0.002% *  0.3305% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 1 structures by 0.38 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 315.5:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.93 +/- 0.11  98.662% * 99.9336% (0.97  10.0   6.96 315.48) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   6.65 +/- 1.62   1.296% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  11.12 +/- 1.46   0.042% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 315.5:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.51 +/- 0.50  99.951% * 99.6823% (0.73  10.0   5.50 315.48) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111  10.12 +/- 1.88   0.036% *  0.0468% (0.34   1.0   0.02   2.20) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.13 +/- 1.73   0.012% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  20.20 +/- 1.18   0.001% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  31.71 +/- 2.36   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.5:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.26 +/- 0.50  99.364% * 99.5678% (1.00  10.0   7.06 315.48) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.63 +/- 1.98   0.147% *  0.0834% (0.84   1.0   0.02   2.20) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.99 +/- 1.13   0.107% *  0.0146% (0.15   1.0   0.02   1.52) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.72 +/- 1.69   0.017% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.89 +/- 0.55   0.340% *  0.0031% (0.03   1.0   0.02   8.24) =   0.000%
          HN    ALA   84 - HG3   GLN   30  15.09 +/- 0.70   0.014% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  21.29 +/- 1.03   0.002% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  16.55 +/- 0.93   0.008% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  21.47 +/- 1.31   0.002% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  23.36 +/- 1.28   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  32.78 +/- 2.35   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  25.92 +/- 1.58   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 315.5:
          HN    LYS+ 111 - HG2   LYS+ 111   3.90 +/- 0.30  99.684% * 94.2737% (0.18   6.51 315.48) =  99.997%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.55 +/- 2.08   0.217% *  0.8044% (0.49   0.02   2.20) =   0.002%
          HN    LEU   63 - HG2   LYS+ 111  16.24 +/- 1.77   0.033% *  1.0023% (0.61   0.02   0.02) =   0.000%
          QE    PHE   60 - HG2   LYS+ 111  15.20 +/- 2.39   0.056% *  0.5101% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  22.08 +/- 1.59   0.004% *  1.4821% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  25.76 +/- 1.68   0.001% *  1.6380% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  20.64 +/- 1.11   0.005% *  0.2894% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.5:
          HN    LYS+ 111 - HG3   LYS+ 111   3.30 +/- 0.56  99.498% * 98.0208% (0.65   6.55 315.48) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.47 +/- 2.38   0.211% *  0.4467% (0.97   0.02   2.20) =   0.001%
          HN    LEU   63 - HG3   LYS+ 111  15.86 +/- 1.58   0.017% *  0.4619% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.71 +/- 1.23   0.078% *  0.0494% (0.11   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  12.74 +/- 1.02   0.051% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  12.78 +/- 0.78   0.044% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  13.19 +/- 0.80   0.036% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  12.70 +/- 0.70   0.046% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  20.72 +/- 1.03   0.002% *  0.2994% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.32 +/- 0.91   0.010% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  22.39 +/- 0.91   0.001% *  0.1737% (0.38   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  25.96 +/- 1.07   0.001% *  0.2621% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  19.73 +/- 1.09   0.003% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.26 +/- 1.81   0.000% *  0.1154% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.54, residual support = 30.9:
          HN    VAL   75 - HG2   LYS+  74   3.16 +/- 0.60  99.826% * 92.5823% (0.09   5.54  30.93) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.34 +/- 1.13   0.168% *  0.4140% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  18.51 +/- 0.77   0.004% *  3.1297% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.13 +/- 1.25   0.002% *  3.8739% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.758, support = 0.823, residual support = 2.5:
        T HB2   LEU  115 - HA    LYS+ 112   2.64 +/- 0.71  92.951% * 68.8858% (0.76 10.00   0.75   2.24) =  98.453%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.18 +/- 0.33   4.264% * 15.5754% (0.18  1.00   7.40  27.98) =   1.021%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.76 +/- 0.50   2.336% * 14.6158% (0.73  1.00   1.67   1.09) =   0.525%  kept
          HG3   PRO   58 - HA    LYS+ 112   8.32 +/- 2.51   0.440% *  0.1925% (0.80  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    LYS+ 112  20.39 +/- 2.78   0.003% *  0.2085% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LYS+ 112  18.02 +/- 2.57   0.003% *  0.0902% (0.38  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  22.22 +/- 1.45   0.001% *  0.1925% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  18.56 +/- 1.34   0.002% *  0.0421% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  22.36 +/- 1.57   0.001% *  0.0535% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.94 +/- 1.80   0.001% *  0.0535% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  31.04 +/- 1.35   0.000% *  0.0902% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.82, residual support = 8.55:
        T QD1   ILE   56 - HA    LYS+ 112   4.70 +/- 1.82  97.391% * 99.7140% (0.84 10.00   1.82   8.56) =  99.998%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  13.93 +/- 0.68   0.636% *  0.1212% (0.92  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HA    LYS+ 112  11.94 +/- 1.12   1.604% *  0.0365% (0.28  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HA    LYS+ 112  17.98 +/- 1.17   0.323% *  0.0743% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.23 +/- 1.62   0.045% *  0.0540% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 11 structures by 1.59 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 1.7, residual support = 3.16:
          QD    PHE   55 - HA    LYS+ 112   5.17 +/- 2.11  81.597% * 96.9352% (0.95   1.70   3.17) =  99.842%  kept
          QE    PHE   95 - HA    LYS+ 112   7.39 +/- 1.48  18.255% *  0.6809% (0.57   0.02   0.02) =   0.157%
          HN    LEU   67 - HA    LYS+ 112  16.66 +/- 1.80   0.113% *  0.2380% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - HA    LYS+ 112  22.19 +/- 1.19   0.017% *  1.1788% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  25.59 +/- 1.37   0.008% *  0.6327% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  24.81 +/- 1.41   0.010% *  0.3344% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 10 structures by 1.60 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 231.6:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.05  99.985% * 99.7200% (0.92  10.0   5.74 231.65) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  13.45 +/- 1.37   0.011% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  16.48 +/- 1.21   0.003% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  20.23 +/- 1.26   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  39.14 +/- 2.40   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 231.6:
          HN    LYS+ 112 - HG2   LYS+ 112   3.42 +/- 0.63  99.988% * 98.9776% (0.41   6.23 231.65) = 100.000%  kept
          HN    VAL   75 - HG2   LYS+ 112  18.70 +/- 1.90   0.009% *  0.2387% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG2   LYS+ 112  21.47 +/- 1.83   0.003% *  0.5909% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  40.05 +/- 2.92   0.000% *  0.1928% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.71, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   8.67 +/- 1.36  33.927% * 30.2011% (0.90   0.02   0.02) =  46.254%  kept
          HN    PHE   59 - HG2   LYS+ 112   7.83 +/- 1.66  55.847% * 17.7173% (0.53   0.02   0.02) =  44.667%  kept
          QD    PHE   60 - HG2   LYS+ 112  11.29 +/- 1.40   7.215% * 15.0977% (0.45   0.02   0.02) =   4.917%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.95 +/- 2.60   2.956% * 31.0863% (0.92   0.02   0.02) =   4.148%  kept
          HN    LYS+  81 - HG2   LYS+ 112  25.73 +/- 1.88   0.055% *  5.8976% (0.18   0.02   0.02) =   0.015%
    Distance limit 4.00 A violated in 20 structures by 2.81 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.57, residual support = 231.6:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.34 +/- 0.31  99.966% * 93.9398% (0.20  10.0 10.00   4.57 231.65) =  99.998%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  10.70 +/- 1.95   0.032% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HG2   LYS+ 112  18.49 +/- 1.67   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  17.05 +/- 1.54   0.001% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  26.18 +/- 1.53   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  32.66 +/- 2.25   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  33.95 +/- 2.89   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 231.6:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.98 +/- 0.36  99.892% * 93.9398% (0.20  10.0 10.00   4.65 231.65) =  99.995%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.72 +/- 1.74   0.102% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HG3   MET   96 - HG3   LYS+ 112  19.22 +/- 1.52   0.002% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  17.61 +/- 1.40   0.003% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  26.73 +/- 1.32   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  33.58 +/- 2.26   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  34.98 +/- 2.78   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.374, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112   9.49 +/- 1.69  94.035% *  6.9459% (0.28   0.02   0.02) =  83.758%  kept
          HD1   TRP   49 - HG3   LYS+ 112  17.79 +/- 1.94   3.357% * 24.1093% (0.97   0.02   0.02) =  10.378%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.69 +/- 2.45   1.952% * 17.1603% (0.69   0.02   0.02) =   4.295%  kept
          HD2   HIS   22 - HG3   LYS+ 112  24.99 +/- 2.45   0.356% * 24.9820% (1.00   0.02   0.02) =   1.142%  kept
          HD21  ASN   35 - HG3   LYS+ 112  31.35 +/- 1.99   0.090% * 19.0919% (0.76   0.02   0.02) =   0.220%
          HN    THR   23 - HG3   LYS+ 112  27.30 +/- 2.07   0.210% *  7.7106% (0.31   0.02   0.02) =   0.207%
    Distance limit 4.14 A violated in 20 structures by 5.25 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.94, residual support = 231.6:
          HN    LYS+ 112 - HG3   LYS+ 112   3.20 +/- 0.44  99.995% * 98.9289% (0.41   5.94 231.65) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  21.90 +/- 1.76   0.002% *  0.6191% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  19.46 +/- 1.82   0.003% *  0.2500% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  41.14 +/- 2.96   0.000% *  0.2020% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.77, residual support = 231.6:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.42 +/- 0.15  99.957% * 95.1769% (0.20  10.0  1.00   3.77 231.65) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.01 +/- 2.29   0.041% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  19.72 +/- 1.81   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  18.09 +/- 1.64   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  27.38 +/- 1.70   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  33.74 +/- 2.27   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  34.93 +/- 3.05   0.000% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.53, residual support = 231.6:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.73 +/- 0.16  99.988% * 99.7845% (0.85  10.0   5.53 231.65) = 100.000%  kept
          QG1   VAL   42 - HD3   LYS+ 112  14.69 +/- 1.77   0.007% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
          QB    ALA   47 - HD3   LYS+ 112  14.67 +/- 1.37   0.006% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 231.6:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.30 +/- 0.14  99.974% * 98.0934% (0.19  10.0   2.96 231.65) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  10.56 +/- 2.24   0.025% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  19.35 +/- 1.85   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  18.25 +/- 1.64   0.000% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  27.36 +/- 1.67   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  33.58 +/- 2.17   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  34.51 +/- 2.97   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.57, residual support = 231.6:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.34 +/- 0.31  99.903% * 99.5374% (0.75  10.0 10.00   4.57 231.65) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  10.70 +/- 1.95   0.032% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.99 +/- 0.87   0.047% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  12.17 +/- 1.54   0.009% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  12.44 +/- 1.83   0.007% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  15.03 +/- 0.83   0.002% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.45, residual support = 8.55:
          QD1   ILE   56 - QE    LYS+ 112   4.68 +/- 1.77  79.219% * 88.7577% (0.44   1.45   8.56) =  99.913%  kept
          QD1   ILE   56 - HB3   ASP-  62   6.64 +/- 0.42  14.458% *  0.2502% (0.09   0.02   0.02) =   0.051%
          QG2   VAL   18 - QE    LYS+ 112  13.70 +/- 2.41   0.908% *  0.9556% (0.34   0.02   0.02) =   0.012%
          QG2   VAL   18 - HB3   ASP-  62   9.97 +/- 1.88   3.726% *  0.1955% (0.07   0.02   0.02) =   0.010%
          QG2   THR   46 - QE    LYS+ 112  12.67 +/- 2.02   0.428% *  0.7174% (0.26   0.02   0.02) =   0.004%
          QD2   LEU   73 - QE    LYS+ 112  16.66 +/- 1.96   0.072% *  1.8612% (0.67   0.02   0.02) =   0.002%
          QG1   VAL   43 - QE    LYS+ 112  15.31 +/- 1.43   0.088% *  1.5037% (0.54   0.02   0.02) =   0.002%
          QD2   LEU   73 - HB3   ASP-  62  13.46 +/- 0.73   0.253% *  0.3808% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   ASP-  62  13.73 +/- 0.85   0.230% *  0.3076% (0.11   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   ASP-  62  12.60 +/- 1.34   0.473% *  0.1468% (0.05   0.02   0.02) =   0.001%
          QG1   VAL   41 - QE    LYS+ 112  18.47 +/- 1.72   0.028% *  1.9415% (0.70   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB3   ASP-  62  15.90 +/- 1.02   0.092% *  0.3972% (0.14   0.02   0.02) =   0.001%
          HG    LEU   31 - QE    LYS+ 112  23.05 +/- 2.08   0.008% *  2.1457% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  20.84 +/- 1.22   0.017% *  0.4390% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 6 structures by 1.18 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 231.6:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.98 +/- 0.36  89.721% * 98.8386% (0.81  10.0 10.00   4.65 231.65) =  99.997%  kept
          HG    LEU   63 - HB3   ASP-  62   5.02 +/- 1.01   9.453% *  0.0188% (0.15   1.0  1.00   0.02  42.44) =   0.002%
          HG    LEU   63 - QE    LYS+ 112  10.71 +/- 2.71   0.666% *  0.0918% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.72 +/- 1.74   0.088% *  0.2022% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.97 +/- 0.93   0.046% *  0.0255% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QE    LYS+ 112  21.28 +/- 1.74   0.001% *  0.7827% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.50 +/- 0.99   0.014% *  0.0052% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.07 +/- 1.24   0.003% *  0.0158% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  15.18 +/- 1.64   0.007% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  21.28 +/- 0.94   0.001% *  0.0160% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.485, support = 0.0199, residual support = 0.0199:
        T QG2   VAL  107 - QE    LYS+ 112   6.58 +/- 1.05  23.857% * 59.7816% (0.51 10.00   0.02   0.02) =  90.643%  kept
          HG13  ILE  119 - HB3   ASP-  62   5.40 +/- 1.50  61.890% *  1.3045% (0.11  1.00   0.02   0.02) =   5.131%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.14 +/- 1.72   9.083% *  6.3761% (0.54  1.00   0.02   0.02) =   3.681%  kept
          QG2   VAL  107 - HB3   ASP-  62   8.73 +/- 1.00   4.332% *  1.2231% (0.10  1.00   0.02   0.02) =   0.337%
          HG2   LYS+ 121 - QE    LYS+ 112  14.11 +/- 1.24   0.196% *  8.2327% (0.70  1.00   0.02   0.02) =   0.103%
          QB    ALA   20 - QE    LYS+ 112  17.43 +/- 2.10   0.066% *  9.8344% (0.83  1.00   0.02   0.02) =   0.041%
          HG2   LYS+ 121 - HB3   ASP-  62  13.55 +/- 1.41   0.275% *  1.6844% (0.14  1.00   0.02   0.02) =   0.029%
          QB    ALA   20 - HB3   ASP-  62  15.05 +/- 1.31   0.196% *  2.0121% (0.17  1.00   0.02   0.02) =   0.025%
          HG13  ILE  103 - QE    LYS+ 112  18.65 +/- 1.39   0.040% *  1.9506% (0.17  1.00   0.02   0.02) =   0.005%
          HB3   LEU   31 - QE    LYS+ 112  24.21 +/- 2.00   0.008% *  5.9782% (0.51  1.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - HB3   ASP-  62  21.80 +/- 1.02   0.015% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB3   ASP-  62  18.42 +/- 1.19   0.043% *  0.3991% (0.03  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 18 structures by 1.68 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 0.87, residual support = 3.16:
          QD    PHE   55 - QE    LYS+ 112   4.26 +/- 1.49  83.847% * 88.5842% (0.72   0.87   3.17) =  99.704%  kept
          QE    PHE   95 - QE    LYS+ 112   7.68 +/- 2.00   8.114% *  2.2954% (0.82   0.02   0.02) =   0.250%
          QE    PHE   95 - HB3   ASP-  62   7.55 +/- 0.74   4.457% *  0.4696% (0.17   0.02   0.02) =   0.028%
          HN    LEU   67 - HB3   ASP-  62   7.77 +/- 0.65   2.853% *  0.3100% (0.11   0.02   0.02) =   0.012%
          HN    LEU   67 - QE    LYS+ 112  14.93 +/- 2.69   0.141% *  1.5149% (0.54   0.02   0.02) =   0.003%
          QD    PHE   55 - HB3   ASP-  62  10.77 +/- 0.87   0.486% *  0.4156% (0.15   0.02   0.02) =   0.003%
          HD1   TRP   49 - QE    LYS+ 112  15.77 +/- 1.87   0.037% *  0.7228% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  20.90 +/- 2.10   0.008% *  1.8752% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  23.47 +/- 2.24   0.004% *  2.2600% (0.81   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  18.88 +/- 0.83   0.016% *  0.3837% (0.14   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  21.20 +/- 2.73   0.007% *  0.4634% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  22.28 +/- 1.25   0.006% *  0.4624% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  20.00 +/- 1.21   0.013% *  0.1479% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  19.59 +/- 1.53   0.012% *  0.0948% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 5 structures by 0.77 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.836, support = 3.55, residual support = 23.0:
          HN    GLU- 114 - QB    ASP- 113   2.57 +/- 0.31  97.275% * 79.4478% (0.84   3.57  23.14) =  99.402%  kept
          HN    GLN  116 - QB    ASP- 113   5.04 +/- 0.20   2.365% * 19.5850% (0.98   0.75   1.50) =   0.596%  kept
          HN    THR  118 - QB    ASP- 113   6.75 +/- 0.42   0.345% *  0.4266% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ASP- 113  12.62 +/- 0.82   0.014% *  0.3017% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  20.97 +/- 1.55   0.001% *  0.2389% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.4, residual support = 14.2:
      O   HN    ASP- 113 - QB    ASP- 113   2.11 +/- 0.10  99.994% * 99.9821% (0.98  10.0   3.40  14.21) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  13.60 +/- 1.82   0.006% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 0.0199, residual support = 0.0199:
        T QG1   ILE   56 - HA    ASP- 113   8.97 +/- 1.00  96.530% * 39.4133% (0.41 10.00   0.02   0.02) =  98.772%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.18 +/- 1.24   0.690% * 50.4393% (0.53 10.00   0.02   0.02) =   0.903%  kept
          HB    ILE   89 - HA    ASP- 113  20.66 +/- 1.86   1.179% *  8.8499% (0.92  1.00   0.02   0.02) =   0.271%
          HB    VAL   43 - HA    ASP- 113  19.18 +/- 1.55   1.602% *  1.2975% (0.14  1.00   0.02   0.02) =   0.054%
    Distance limit 3.60 A violated in 20 structures by 5.36 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.792, support = 4.04, residual support = 49.2:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.03  53.148% * 54.7124% (0.84  10.0   3.63  43.64) =  87.280%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.04  12.398% * 29.5482% (0.45  10.0   7.48 100.68) =  10.996%  kept
          HN    GLN  116 - HA    GLU- 114   4.35 +/- 0.41   4.763% *  9.8656% (0.98   1.0   3.07   0.19) =   1.410%  kept
          HN    GLU- 114 - HA    LEU  115   5.05 +/- 0.11   1.650% *  5.7002% (0.38   1.0   4.53  15.68) =   0.282%
          HN    THR  118 - HA    GLU- 114   3.83 +/- 0.60  12.678% *  0.0525% (0.80   1.0   0.02   0.02) =   0.020%
          HN    THR  118 - HA    LEU  115   3.57 +/- 0.31  15.225% *  0.0241% (0.37   1.0   0.02   0.02) =   0.011%
          HN    PHE   60 - HA    LEU  115   7.96 +/- 0.81   0.129% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.50 +/- 0.79   0.008% *  0.0371% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.98 +/- 1.42   0.001% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.08 +/- 1.14   0.000% *  0.0294% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.572, support = 6.76, residual support = 157.9:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.04  79.465% * 31.4756% (0.41  10.0   7.67 227.93) =  67.017%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.04  17.998% * 68.3936% (0.90  10.0   4.93  15.68) =  32.981%  kept
          HN    ASP- 113 - HA    GLU- 114   5.14 +/- 0.12   2.036% *  0.0212% (0.28   1.0   0.02  23.14) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.60 +/- 0.23   0.460% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.90 +/- 1.95   0.030% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.47 +/- 1.20   0.012% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3235 (8.17, 2.00, 29.90 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 3.79, residual support = 43.6:
      O   HN    GLU- 114 - QB    GLU- 114   2.39 +/- 0.25  94.968% * 99.6664% (0.81  10.0   3.79  43.64) =  99.995%  kept
          HN    THR  118 - QB    GLU- 114   4.53 +/- 0.49   3.635% *  0.0955% (0.77   1.0   0.02   0.02) =   0.004%
          HN    GLN  116 - QB    GLU- 114   5.08 +/- 0.35   1.384% *  0.1170% (0.95   1.0   0.02   0.19) =   0.002%
          HN    PHE   60 - QB    GLU- 114  11.03 +/- 0.88   0.013% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  17.84 +/- 1.10   0.001% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.849, support = 4.8, residual support = 15.9:
          HN    LEU  115 - QB    GLU- 114   3.26 +/- 0.41  87.570% * 82.6089% (0.87   4.84  15.68) =  97.181%  kept
          HN    ASP- 113 - QB    GLU- 114   4.68 +/- 0.29  12.303% * 17.0500% (0.27   3.22  23.14) =   2.818%  kept
          HN    PHE   97 - QB    GLU- 114  10.43 +/- 1.37   0.127% *  0.3411% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.837, support = 4.39, residual support = 42.5:
          HN    GLU- 114 - QG    GLU- 114   2.40 +/- 0.40  93.924% * 52.0250% (0.83   4.41  43.64) =  97.446%  kept
          HN    GLN  116 - QG    GLU- 114   4.81 +/- 0.61   2.682% * 47.4627% (0.98   3.43   0.19) =   2.538%  kept
          HN    THR  118 - QG    GLU- 114   5.01 +/- 0.87   3.351% *  0.2260% (0.80   0.02   0.02) =   0.015%
          HN    PHE   60 - QG    GLU- 114  10.21 +/- 1.70   0.042% *  0.1598% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  17.74 +/- 1.40   0.001% *  0.1265% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.36, residual support = 15.7:
          HN    LEU  115 - QG    GLU- 114   2.65 +/- 0.83  99.934% * 98.4269% (0.45   5.36  15.68) = 100.000%  kept
          HN    PHE   97 - QG    GLU- 114  10.67 +/- 1.41   0.065% *  0.3673% (0.45   0.02   0.02) =   0.000%
          HN    ASN   35 - QG    GLU- 114  23.28 +/- 1.27   0.001% *  0.4310% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  31.97 +/- 2.36   0.000% *  0.7749% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 1.62, residual support = 4.58:
          QG1   VAL  107 - QG    GLU- 114   3.05 +/- 1.31  89.394% * 65.0782% (0.98   1.65   4.79) =  94.367%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.26 +/- 1.72  10.315% * 33.6600% (0.83   1.00   1.09) =   5.632%  kept
          HG13  ILE  119 - QG    GLU- 114   8.02 +/- 1.24   0.285% *  0.1789% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG    GLU- 114  19.33 +/- 1.44   0.002% *  0.7418% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  18.49 +/- 1.17   0.002% *  0.1407% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  20.51 +/- 1.43   0.001% *  0.2004% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 0.987, residual support = 4.79:
        T QG2   VAL  107 - QB    GLU- 114   3.51 +/- 0.60  98.125% * 98.9148% (0.59 10.00   0.99   4.79) =  99.996%  kept
          HG13  ILE  119 - QB    GLU- 114   8.35 +/- 0.80   1.337% *  0.2138% (0.62  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QB    GLU- 114   9.19 +/- 1.11   0.464% *  0.2760% (0.81  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QB    GLU- 114  12.44 +/- 1.06   0.063% *  0.0654% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  18.48 +/- 1.05   0.008% *  0.3297% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  20.50 +/- 1.40   0.003% *  0.2004% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 4 structures by 0.54 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.32, residual support = 227.9:
      O T HA    LEU  115 - HB3   LEU  115   2.27 +/- 0.09  99.623% * 97.8960% (0.92  10.0 10.00   6.32 227.93) =  99.999%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.29 +/- 0.28   0.252% *  0.4755% (0.45   1.0 10.00   0.02  15.68) =   0.001%
        T HA    ARG+  54 - HB3   LEU  115  11.04 +/- 0.93   0.011% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   7.49 +/- 0.40   0.086% *  0.0100% (0.09   1.0  1.00   0.02   0.11) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.34 +/- 1.53   0.018% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  16.08 +/- 1.65   0.001% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.39 +/- 0.90   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  14.92 +/- 5.28   0.003% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.40 +/- 1.29   0.000% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.43 +/- 0.54   0.002% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  23.62 +/- 1.94   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.77 +/- 0.76   0.000% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.99 +/- 1.31   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.74 +/- 1.18   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  22.36 +/- 2.37   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.47 +/- 1.52   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.17 +/- 0.13   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.46 +/- 0.97   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  29.07 +/- 1.24   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.65 +/- 0.40   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.14, residual support = 227.9:
      O T QD1   LEU  115 - HB3   LEU  115   2.41 +/- 0.30  99.991% * 99.7570% (0.87  10.0 10.00   6.14 227.93) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.87 +/- 1.05   0.004% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  15.30 +/- 1.26   0.002% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.63 +/- 0.47   0.002% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.35, residual support = 227.9:
      O T QD2   LEU  115 - HB3   LEU  115   2.84 +/- 0.44  87.472% * 98.9032% (0.45  10.0 10.00   7.35 227.93) =  99.995%  kept
          QD1   LEU   63 - HB3   LEU  115   6.19 +/- 1.26   1.551% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB3   LEU  115   8.08 +/- 1.38   0.328% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   5.24 +/- 1.05   7.763% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   LEU   40   7.53 +/- 1.38   0.905% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.36 +/- 0.41   1.070% *  0.0097% (0.04   1.0  1.00   0.02  19.75) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   8.03 +/- 0.75   0.256% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   9.04 +/- 1.32   0.247% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.40 +/- 0.65   0.361% *  0.0058% (0.03   1.0  1.00   0.02   9.92) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  14.84 +/- 1.28   0.006% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  14.73 +/- 1.52   0.007% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.55 +/- 1.78   0.011% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  15.44 +/- 1.20   0.005% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.31 +/- 1.52   0.007% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.41 +/- 1.32   0.002% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.94 +/- 1.25   0.002% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  15.87 +/- 0.79   0.004% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.15 +/- 1.25   0.003% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.952, support = 7.64, residual support = 92.6:
          HN    GLN  116 - HB3   LEU  115   4.10 +/- 0.23  37.263% * 69.3694% (0.98   8.09 100.68) =  90.987%  kept
          HN    GLU- 114 - HB3   LEU  115   5.50 +/- 0.47   6.990% * 25.7452% (0.84   3.53  15.68) =   6.334%  kept
          HN    LEU   71 - HB3   LEU   40   4.16 +/- 1.14  46.369% *  1.1752% (0.05   2.56   1.50) =   1.918%  kept
          HN    THR  118 - HB3   LEU  115   5.63 +/- 0.35   6.136% *  3.4675% (0.80   0.50   0.02) =   0.749%  kept
          HN    PHE   60 - HB3   LEU  115   6.73 +/- 1.13   3.198% *  0.0990% (0.57   0.02   0.02) =   0.011%
          HN    LEU   71 - HB3   LEU  115  17.68 +/- 1.27   0.007% *  0.0784% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  15.50 +/- 2.19   0.017% *  0.0164% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  15.94 +/- 1.72   0.011% *  0.0116% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.25 +/- 1.17   0.005% *  0.0201% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.02 +/- 1.01   0.003% *  0.0171% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 7.48, residual support = 227.9:
      O   HN    LEU  115 - HB3   LEU  115   3.12 +/- 0.32  98.293% * 99.8421% (0.90  10.0   7.48 227.93) =  99.999%  kept
          HN    ASP- 113 - HB3   LEU  115   6.32 +/- 0.50   1.487% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU  115  12.17 +/- 1.70   0.042% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.28 +/- 0.89   0.174% *  0.0117% (0.11   1.0   0.02   1.90) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.43 +/- 0.93   0.003% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.73 +/- 1.56   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.24:
        T HA    LYS+ 112 - HB2   LEU  115   2.64 +/- 0.71  99.941% * 99.6055% (0.69 10.00   0.75   2.24) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  12.90 +/- 1.24   0.039% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.89 +/- 1.57   0.020% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  24.34 +/- 1.88   0.001% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.931, support = 0.02, residual support = 0.702:
          QE    PHE   95 - HB2   LEU  115   5.70 +/- 1.37  55.056% * 20.5627% (0.98   0.02   1.19) =  58.112%  kept
          QD    PHE   55 - HB2   LEU  115   6.00 +/- 1.20  44.664% * 18.1970% (0.87   0.02   0.02) =  41.719%  kept
          HN    LEU   67 - HB2   LEU  115  15.22 +/- 1.41   0.161% * 13.5708% (0.65   0.02   0.02) =   0.112%
          HD1   TRP   49 - HB2   LEU  115  17.10 +/- 1.32   0.071% *  6.4748% (0.31   0.02   0.02) =   0.024%
          HE3   TRP   27 - HB2   LEU  115  20.20 +/- 1.05   0.024% * 16.7979% (0.80   0.02   0.02) =   0.020%
          HN    THR   23 - HB2   LEU  115  23.86 +/- 1.26   0.009% * 20.2453% (0.97   0.02   0.02) =   0.009%
          HD2   HIS   22 - HB2   LEU  115  22.00 +/- 1.70   0.016% *  4.1515% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.59 A violated in 15 structures by 1.25 A, eliminated.
    Peak unassigned.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.78, support = 7.3, residual support = 96.9:
          HN    GLN  116 - HB2   LEU  115   3.24 +/- 0.48  80.078% * 80.5445% (0.80   7.45 100.68) =  95.533%  kept
          HN    GLU- 114 - HB2   LEU  115   4.39 +/- 0.25  15.967% * 18.8247% (0.34   4.09  15.68) =   4.452%  kept
          HN    THR  118 - HB2   LEU  115   5.67 +/- 0.29   3.223% *  0.2647% (0.98   0.02   0.02) =   0.013%
          HN    PHE   60 - HB2   LEU  115   7.88 +/- 0.86   0.732% *  0.2647% (0.98   0.02   0.02) =   0.003%
          HN    GLU-  15 - HB2   LEU  115  25.41 +/- 1.40   0.000% *  0.1013% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.38, residual support = 227.9:
      O   HN    LEU  115 - HB2   LEU  115   2.13 +/- 0.17  99.237% * 99.8692% (0.90  10.0   7.38 227.93) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   4.88 +/- 0.46   0.761% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  13.11 +/- 1.34   0.002% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.505, support = 5.52, residual support = 70.8:
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.04  12.379% * 67.9099% (0.82  10.0   7.48 100.68) =  48.959%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.03  53.066% * 15.8333% (0.19  10.0   3.63  43.64) =  48.932%  kept
          HN    GLU- 114 - HA    LEU  115   5.05 +/- 0.11   1.647% * 13.1006% (0.70   1.0   4.53  15.68) =   1.257%  kept
          HN    GLN  116 - HA    GLU- 114   4.35 +/- 0.41   4.758% *  2.8550% (0.22   1.0   3.07   0.19) =   0.791%  kept
          HN    THR  118 - HA    LEU  115   3.57 +/- 0.31  15.203% *  0.0555% (0.67   1.0   0.02   0.02) =   0.049%
          HN    THR  118 - HA    GLU- 114   3.83 +/- 0.60  12.665% *  0.0152% (0.18   1.0   0.02   0.02) =   0.011%
          HN    PHE   60 - HA    LEU  115   7.96 +/- 0.81   0.129% *  0.0392% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.52 +/- 1.00   0.134% *  0.0220% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.86 +/- 1.28   0.005% *  0.0381% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.79 +/- 0.99   0.003% *  0.0324% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.50 +/- 0.79   0.008% *  0.0107% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.25 +/- 1.35   0.002% *  0.0311% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.98 +/- 1.42   0.001% *  0.0311% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  22.23 +/- 1.80   0.000% *  0.0174% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.08 +/- 1.14   0.000% *  0.0085% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.717, support = 7.51, residual support = 215.5:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.04  79.454% * 78.3350% (0.75  10.0   7.67 227.93) =  94.164%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.04  17.995% * 21.4329% (0.20  10.0   4.93  15.68) =   5.835%  kept
          HN    ASP- 113 - HA    GLU- 114   5.14 +/- 0.12   2.036% *  0.0066% (0.06   1.0   0.02  23.14) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.60 +/- 0.23   0.460% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.90 +/- 1.95   0.030% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.22 +/- 0.95   0.008% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.47 +/- 1.20   0.012% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.09 +/- 0.99   0.005% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.62 +/- 1.39   0.001% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.778, support = 7.54, residual support = 227.9:
          HN    LEU  115 - HG    LEU  115   3.89 +/- 0.75  91.834% * 99.4477% (0.78   7.54 227.93) =  99.992%  kept
          HN    ASP- 113 - HG    LEU  115   6.38 +/- 1.27   5.239% *  0.0817% (0.24   0.02   0.02) =   0.005%
          HN    PHE   97 - HG    LEU   40   7.72 +/- 0.98   2.785% *  0.0896% (0.26   0.02   1.90) =   0.003%
          HN    PHE   97 - HG    LEU  115  13.18 +/- 1.21   0.117% *  0.2637% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  17.20 +/- 1.10   0.019% *  0.0896% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.47 +/- 1.58   0.006% *  0.0278% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.43 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115   9.96 +/- 1.32 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.76 A violated in 20 structures by 6.20 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.594, support = 0.509, residual support = 1.11:
          QE    PHE   95 - QD1   LEU  115   4.38 +/- 1.35  43.337% * 84.1252% (0.57   0.55   1.19) =  92.628%  kept
          QD    PHE   55 - QD1   LEU  115   4.25 +/- 1.27  56.544% *  5.1284% (0.95   0.02   0.02) =   7.368%  kept
          HN    LEU   67 - QD1   LEU  115  11.71 +/- 1.31   0.105% *  1.0729% (0.20   0.02   0.02) =   0.003%
          HE3   TRP   27 - QD1   LEU  115  16.64 +/- 1.30   0.008% *  5.3140% (0.98   0.02   0.02) =   0.001%
          HN    THR   23 - QD1   LEU  115  19.34 +/- 1.43   0.003% *  2.8523% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  19.44 +/- 1.51   0.003% *  1.5073% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 2 structures by 0.33 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.5, residual support = 28.8:
          QD    PHE   59 - QD1   LEU  115   3.32 +/- 0.60  99.918% * 98.7271% (0.95   4.50  28.77) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  12.34 +/- 1.22   0.071% *  0.3872% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  18.17 +/- 2.02   0.007% *  0.4473% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  19.14 +/- 1.31   0.004% *  0.4385% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 1 structures by 0.19 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.833, support = 0.02, residual support = 1.19:
          QD    PHE   95 - QD2   LEU  115   5.93 +/- 1.53  97.955% * 75.7271% (0.84   0.02   1.19) =  99.335%  kept
          HN    ALA   47 - QD2   LEU  115  12.80 +/- 1.72   2.045% * 24.2729% (0.27   0.02   0.02) =   0.665%  kept
    Distance limit 3.37 A violated in 15 structures by 2.54 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.896, support = 2.56, residual support = 28.8:
          QE    PHE   59 - QD2   LEU  115   3.97 +/- 1.18  53.942% * 83.6158% (0.89   2.88  28.77) =  86.726%  kept
          HN    PHE   59 - QD2   LEU  115   4.44 +/- 1.19  44.270% * 15.5827% (0.93   0.51  28.77) =  13.264%  kept
          HN    HIS  122 - QD2   LEU  115   8.07 +/- 0.42   1.434% *  0.2825% (0.43   0.02   0.02) =   0.008%
          HN    LYS+  66 - QD2   LEU  115   9.99 +/- 1.23   0.348% *  0.2825% (0.43   0.02   0.02) =   0.002%
          HH2   TRP   87 - QD2   LEU  115  19.35 +/- 1.45   0.006% *  0.2365% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 10 structures by 0.81 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.98, residual support = 14.8:
        T QD1   ILE  119 - HA    GLN  116   3.07 +/- 0.64  99.775% * 99.5742% (0.61 10.00   3.98  14.77) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  12.27 +/- 2.66   0.088% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.35 +/- 0.71   0.061% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  13.41 +/- 1.62   0.028% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  14.14 +/- 2.12   0.020% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.56 +/- 0.89   0.022% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  19.54 +/- 2.00   0.003% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  18.48 +/- 1.91   0.004% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 100.7:
          QD2   LEU  115 - HA    GLN  116   2.32 +/- 0.30  99.602% * 98.5629% (0.92   6.30 100.68) =  99.999%  kept
          QD1   LEU   63 - HA    GLN  116   7.34 +/- 1.11   0.235% *  0.3321% (0.98   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    GLN  116   8.17 +/- 1.59   0.156% *  0.1519% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  13.13 +/- 2.10   0.005% *  0.2327% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  16.73 +/- 1.30   0.001% *  0.3321% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  20.58 +/- 1.64   0.000% *  0.3038% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  22.25 +/- 1.09   0.000% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.77, residual support = 14.8:
          HN    ILE  119 - HA    GLN  116   3.47 +/- 0.22  99.995% * 97.4236% (0.57   2.77  14.77) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  22.00 +/- 1.67   0.002% *  1.2010% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  20.88 +/- 1.27   0.002% *  0.4245% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  26.27 +/- 1.21   0.001% *  0.7046% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  26.49 +/- 1.48   0.001% *  0.2463% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 6.99, residual support = 114.4:
      O   HN    GLN  116 - HA    GLN  116   2.78 +/- 0.06  93.619% * 90.2915% (0.98  10.0   7.01 115.16) =  99.344%  kept
          HN    THR  118 - HA    GLN  116   4.48 +/- 0.30   5.851% *  9.5381% (0.80   1.0   2.59   0.02) =   0.656%  kept
          HN    GLU- 114 - HA    GLN  116   6.87 +/- 0.19   0.423% *  0.0769% (0.84   1.0   0.02   0.19) =   0.000%
          HN    PHE   60 - HA    GLN  116   8.89 +/- 0.83   0.105% *  0.0522% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  18.24 +/- 1.51   0.001% *  0.0413% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   3.23 +/- 0.44  99.574% * 66.5564% (0.49  1.00   0.75   1.50) =  99.961%  kept
        T HA    PRO   58 - HB2   GLN  116  11.72 +/- 1.67   0.093% * 14.9903% (0.41 10.00   0.02   0.02) =   0.021%
          HA    ILE   56 - HB2   GLN  116   9.54 +/- 1.30   0.279% *  3.5189% (0.97  1.00   0.02   0.02) =   0.015%
          HA    LEU  123 - HB2   GLN  116  12.05 +/- 0.61   0.050% *  3.6382% (1.00  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HB2   GLN  116  21.26 +/- 1.20   0.002% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  21.12 +/- 1.07   0.002% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  28.17 +/- 1.01   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  25.21 +/- 1.50   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  31.57 +/- 1.86   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.02, residual support = 100.7:
          QD2   LEU  115 - HB2   GLN  116   3.31 +/- 0.68  99.225% * 97.5346% (0.45   7.02 100.68) =  99.996%  kept
          QD1   LEU   63 - HB2   GLN  116   9.21 +/- 1.20   0.415% *  0.4962% (0.80   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   GLN  116  10.20 +/- 1.52   0.309% *  0.5720% (0.92   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   GLN  116  14.49 +/- 1.42   0.026% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  18.41 +/- 1.26   0.006% *  0.4962% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.26 +/- 1.20   0.009% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.49 +/- 0.76   0.005% *  0.2325% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  21.75 +/- 1.95   0.002% *  0.2547% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  22.34 +/- 1.71   0.002% *  0.1379% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 100.7:
          QD2   LEU  115 - HG2   GLN  116   2.59 +/- 0.69  99.513% * 98.7348% (1.00   6.65 100.68) =  99.999%  kept
          QD1   LEU   63 - HG2   GLN  116   8.57 +/- 1.05   0.297% *  0.2479% (0.84   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG2   GLN  116   9.51 +/- 1.49   0.175% *  0.0740% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG2   GLN  116  14.70 +/- 1.59   0.009% *  0.2662% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.05 +/- 1.28   0.003% *  0.2479% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  21.53 +/- 1.75   0.002% *  0.2961% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  23.27 +/- 1.34   0.001% *  0.1331% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.43, residual support = 115.2:
      O   HE21  GLN  116 - HG2   GLN  116   2.63 +/- 0.58  97.549% * 99.6673% (0.65  10.0   4.43 115.16) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   5.75 +/- 0.67   2.381% *  0.0428% (0.28   1.0   0.02   0.25) =   0.001%
          HN    ALA   57 - HG2   GLN  116  10.01 +/- 1.39   0.069% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  22.68 +/- 2.48   0.001% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  28.58 +/- 1.35   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.797, support = 7.03, residual support = 114.6:
          HN    GLN  116 - HG2   GLN  116   3.23 +/- 0.46  95.404% * 86.6129% (0.80   7.06 115.16) =  99.510%  kept
          HN    THR  118 - HG2   GLN  116   6.16 +/- 0.67   3.146% * 12.8676% (0.98   0.86   0.02) =   0.487%
          HN    GLU- 114 - HG2   GLN  116   6.95 +/- 0.65   1.092% *  0.1045% (0.34   0.02   0.19) =   0.001%
          HN    PHE   60 - HG2   GLN  116   9.50 +/- 1.21   0.358% *  0.3002% (0.98   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  25.84 +/- 1.57   0.001% *  0.1149% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.611, support = 0.0198, residual support = 0.0198:
          QE    PHE   95 - HB2   GLN  116   9.46 +/- 1.45  40.329% * 15.3326% (0.76   0.02   0.02) =  58.452%  kept
          QD    PHE   55 - HB2   GLN  116   8.86 +/- 1.00  56.947% *  6.8436% (0.34   0.02   0.02) =  36.840%  kept
          HN    LEU   67 - HB2   GLN  116  15.96 +/- 1.55   2.055% * 20.0629% (1.00   0.02   0.02) =   3.897%  kept
          HD1   TRP   49 - HB2   GLN  116  21.39 +/- 2.65   0.309% * 16.7579% (0.84   0.02   0.02) =   0.489%
          HD2   HIS   22 - HB2   GLN  116  25.79 +/- 2.65   0.095% * 13.7814% (0.69   0.02   0.02) =   0.124%
          HN    THR   23 - HB2   GLN  116  27.69 +/- 2.10   0.059% * 16.0651% (0.80   0.02   0.02) =   0.089%
          HE3   TRP   27 - HB2   GLN  116  23.59 +/- 1.48   0.155% *  5.5782% (0.28   0.02   0.02) =   0.082%
          HD21  ASN   35 - HB2   GLN  116  28.67 +/- 1.33   0.052% *  5.5782% (0.28   0.02   0.02) =   0.027%
    Distance limit 3.71 A violated in 20 structures by 4.21 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 115.2:
      O   HN    GLN  116 - HB2   GLN  116   2.13 +/- 0.10  99.052% * 99.7303% (0.98  10.0   7.63 115.16) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.25 +/- 0.33   0.478% *  0.0850% (0.84   1.0   0.02   0.19) =   0.000%
          HN    THR  118 - HB2   GLN  116   5.30 +/- 0.26   0.463% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  10.82 +/- 0.99   0.007% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  20.62 +/- 1.13   0.000% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.86, residual support = 27.2:
          HN    SER  117 - HB2   GLN  116   3.04 +/- 0.29  99.999% * 99.5579% (0.98   4.86  27.24) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  23.26 +/- 1.48   0.001% *  0.3491% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  28.50 +/- 2.09   0.000% *  0.0930% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.86, residual support = 27.2:
      O   HN    SER  117 - HA    GLN  116   3.60 +/- 0.03  99.996% * 99.8922% (0.98  10.0   4.86  27.24) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  20.64 +/- 1.45   0.003% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  27.67 +/- 1.65   0.001% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.3, residual support = 6.34:
        T QB    ALA  120 - HA    SER  117   2.52 +/- 0.31  95.886% * 99.2618% (0.92 10.00   2.30   6.34) =  99.999%  kept
          HD2   LYS+ 121 - HA    SER  117   5.25 +/- 1.70   3.865% *  0.0188% (0.18  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    SER  117   7.84 +/- 0.64   0.146% *  0.0993% (0.92  1.00   0.02   1.62) =   0.000%
          HB3   LEU  115 - HA    SER  117   8.33 +/- 0.25   0.094% *  0.0404% (0.38  1.00   0.02   1.62) =   0.000%
          HG    LEU   67 - HA    SER  117  16.89 +/- 3.74   0.003% *  0.0523% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  17.04 +/- 2.23   0.001% *  0.1075% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.89 +/- 2.30   0.002% *  0.0404% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.61 +/- 1.21   0.000% *  0.2990% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.71 +/- 1.22   0.001% *  0.0239% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.99 +/- 1.22   0.000% *  0.0566% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.429, support = 1.3, residual support = 14.9:
          HN    ALA  120 - HA    SER  117   3.47 +/- 0.15  90.321% * 13.0002% (0.28   0.75   6.34) =  58.953%  kept
          HE21  GLN  116 - HA    SER  117   5.85 +/- 1.23   9.658% * 84.6538% (0.65   2.10  27.24) =  41.047%  kept
          HN    ALA   57 - HA    SER  117  14.33 +/- 0.88   0.019% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  22.49 +/- 2.54   0.002% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  26.53 +/- 1.94   0.001% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.55, residual support = 15.1:
      O   HN    SER  117 - HA    SER  117   2.77 +/- 0.04  99.999% * 99.9049% (0.57  10.0   3.55  15.09) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  22.79 +/- 1.48   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.71 +/- 1.19   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.216, support = 0.0198, residual support = 0.0198:
          HN    LYS+  81 - QB    SER   85   7.13 +/- 0.16  57.417% *  3.4992% (0.12   0.02   0.02) =  43.136%  kept
          QD    PHE   55 - QB    SER  117  10.72 +/- 0.89   5.481% * 14.4446% (0.49   0.02   0.02) =  16.999%  kept
          QE    PHE   95 - QB    SER  117   9.22 +/- 1.01  14.612% *  4.5788% (0.15   0.02   0.02) =  14.364%  kept
          HN    LYS+  81 - QB    SER   48   9.74 +/- 0.84   9.688% *  5.8981% (0.20   0.02   0.02) =  12.268%  kept
          QD    PHE   60 - QB    SER  117  12.24 +/- 1.21   2.874% * 12.2000% (0.41   0.02   0.02) =   7.527%  kept
          QD    PHE   60 - QB    SER   48  12.21 +/- 0.90   2.545% *  3.1728% (0.11   0.02   0.02) =   1.734%  kept
          QD    PHE   55 - QB    SER   48  13.75 +/- 0.61   1.139% *  3.7566% (0.13   0.02   0.02) =   0.919%  kept
          HE3   TRP   27 - QB    SER   85  13.08 +/- 0.73   1.647% *  2.5923% (0.09   0.02   0.02) =   0.917%  kept
          QE    PHE   95 - QB    SER   48  12.27 +/- 1.26   2.562% *  1.1908% (0.04   0.02   0.02) =   0.655%  kept
          HE3   TRP   27 - QB    SER   48  15.51 +/- 0.91   0.581% *  4.3694% (0.15   0.02   0.02) =   0.545%  kept
          HE3   TRP   27 - QB    SER  117  20.16 +/- 0.85   0.116% * 16.8009% (0.57   0.02   0.02) =   0.420%
          HN    LYS+  81 - QB    SER  117  24.26 +/- 0.98   0.037% * 22.6789% (0.76   0.02   0.02) =   0.183%
          QD    PHE   60 - QB    SER   85  17.03 +/- 0.86   0.324% *  1.8824% (0.06   0.02   0.02) =   0.131%
          QE    PHE   95 - QB    SER   85  14.62 +/- 0.77   0.808% *  0.7065% (0.02   0.02   0.02) =   0.122%
          QD    PHE   55 - QB    SER   85  19.17 +/- 1.38   0.169% *  2.2287% (0.08   0.02   0.02) =   0.081%
    Distance limit 3.77 A violated in 20 structures by 2.74 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.73, residual support = 36.8:
      O T QG2   THR  118 - HB    THR  118   2.15 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   3.73  36.79) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.64, residual support = 6.59:
          QG1   VAL  107 - HB    THR  118   2.39 +/- 1.87  93.526% * 57.6398% (0.98   1.50   5.16) =  95.532%  kept
          HG13  ILE  119 - HB    THR  118   4.77 +/- 0.40   6.199% * 40.6487% (0.22   4.66  37.05) =   4.465%  kept
          HD3   LYS+ 112 - HB    THR  118   9.82 +/- 1.62   0.275% *  0.6549% (0.84   0.02   0.02) =   0.003%
          QG1   VAL   24 - HB    THR  118  20.87 +/- 1.59   0.000% *  0.7238% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  20.10 +/- 2.35   0.000% *  0.1955% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.78 +/- 1.48   0.000% *  0.1373% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.469, support = 1.78, residual support = 10.6:
          QE    PHE   59 - HB    THR  118   2.92 +/- 1.13  96.422% * 42.2245% (0.45   1.81  10.92) =  95.654%  kept
          HN    HIS  122 - HB    THR  118   6.93 +/- 0.17   3.299% * 56.0012% (0.92   1.16   2.77) =   4.341%  kept
          HN    PHE   59 - HB    THR  118   8.83 +/- 1.02   0.273% *  0.8704% (0.84   0.02  10.92) =   0.006%
          HH2   TRP   87 - HB    THR  118  19.65 +/- 2.08   0.006% *  0.9039% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 2 structures by 0.19 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.55, residual support = 36.8:
      O   HN    THR  118 - HB    THR  118   2.22 +/- 0.14  98.931% * 99.7459% (0.98  10.0   3.55  36.79) =  99.999%  kept
          HN    GLN  116 - HB    THR  118   5.02 +/- 0.29   0.851% *  0.0815% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB    THR  118   6.52 +/- 0.55   0.193% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.09 +/- 0.71   0.026% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  23.56 +/- 1.44   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.73, residual support = 36.8:
      O T QG2   THR  118 - HA    THR  118   2.55 +/- 0.15 100.000% *100.0000% (0.14  10.0 10.00   3.73  36.79) = 100.000%  kept
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.705, support = 2.32, residual support = 13.3:
          QG1   VAL  107 - HA    THR  118   4.28 +/- 1.78  89.599% * 24.6419% (0.88  1.00   1.50   5.16) =  74.417%  kept
        T HG13  ILE  119 - HA    THR  118   6.21 +/- 0.35  10.170% * 74.6264% (0.20 10.00   4.69  37.05) =  25.581%  kept
          HD3   LYS+ 112 - HA    THR  118  12.09 +/- 1.51   0.217% *  0.2800% (0.75  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - HA    THR  118  21.89 +/- 1.63   0.003% *  0.3094% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  20.06 +/- 2.87   0.006% *  0.0836% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  20.61 +/- 1.53   0.005% *  0.0587% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 1 structures by 0.51 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.546, support = 2.5, residual support = 8.28:
        T HB3   LYS+ 121 - HA    THR  118   3.40 +/- 0.40  32.887% * 67.5532% (0.22 10.00   2.66   8.28) =  51.476%  kept
          HD2   LYS+ 121 - HA    THR  118   3.00 +/- 1.39  66.978% * 31.2673% (0.89  1.00   2.33   8.28) =  48.523%  kept
          QD    LYS+  66 - HA    THR  118  11.62 +/- 1.70   0.024% *  0.1967% (0.65  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  10.91 +/- 4.07   0.044% *  0.0676% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118  10.05 +/- 1.28   0.051% *  0.0474% (0.16  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.62 +/- 1.30   0.002% *  0.2709% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  13.50 +/- 3.22   0.010% *  0.0603% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.89 +/- 1.23   0.001% *  0.2263% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.52 +/- 1.34   0.001% *  0.2685% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.47 +/- 1.39   0.002% *  0.0418% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.681, support = 0.0199, residual support = 36.8:
        T HB    ILE  119 - HA    THR  118   5.84 +/- 0.09  93.379% * 57.0728% (0.69 10.00   0.02  37.05) =  99.317%  kept
          HB2   PRO   93 - HA    THR  118  12.22 +/- 1.90   2.343% *  7.0645% (0.85  1.00   0.02   0.02) =   0.309%
          HB    VAL  108 - HA    THR  118  11.12 +/- 1.30   2.319% *  7.0645% (0.85  1.00   0.02   0.02) =   0.305%
          HG2   PRO   58 - HA    THR  118  12.66 +/- 1.40   1.182% *  1.3079% (0.16  1.00   0.02   0.02) =   0.029%
          HB2   ARG+  54 - HA    THR  118  19.44 +/- 1.38   0.079% *  7.3202% (0.88  1.00   0.02   0.02) =   0.011%
          HB3   GLU- 100 - HA    THR  118  19.38 +/- 3.85   0.092% *  5.1298% (0.62  1.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - HA    THR  118  20.15 +/- 2.07   0.062% *  5.7073% (0.69  1.00   0.02   0.02) =   0.007%
          HG3   PRO   52 - HA    THR  118  18.10 +/- 2.14   0.238% *  1.3079% (0.16  1.00   0.02   0.02) =   0.006%
          HB3   PRO   68 - HA    THR  118  16.78 +/- 2.61   0.246% *  1.1523% (0.14  1.00   0.02   0.02) =   0.005%
          HG3   GLN   30 - HA    THR  118  21.30 +/- 1.84   0.044% *  3.3482% (0.40  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HA    THR  118  26.29 +/- 2.05   0.012% *  1.6626% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    THR  118  33.82 +/- 2.82   0.003% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 20 structures by 2.08 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 0.02, residual support = 37.0:
        T HG12  ILE  119 - HA    THR  118   5.15 +/- 0.18  99.428% * 44.9828% (0.40 10.00   0.02  37.05) =  99.885%  kept
          HB2   ASP-  44 - HA    THR  118  14.12 +/- 1.55   0.278% *  9.4912% (0.85  1.00   0.02   0.02) =   0.059%
          HB3   PHE   72 - HA    THR  118  15.53 +/- 1.61   0.151% *  8.7032% (0.78  1.00   0.02   0.02) =   0.029%
          QG    GLN   90 - HA    THR  118  17.06 +/- 1.06   0.083% *  8.0341% (0.72  1.00   0.02   0.02) =   0.015%
          QG    GLU-  15 - HA    THR  118  19.65 +/- 1.90   0.037% *  9.9446% (0.89  1.00   0.02   0.02) =   0.008%
          QG    GLU-  14 - HA    THR  118  23.44 +/- 1.83   0.013% *  9.2620% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  29.94 +/- 2.75   0.003% *  8.0341% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  26.10 +/- 1.88   0.006% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 20 structures by 1.38 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 36.8:
      O T HB    THR  118 - HA    THR  118   3.04 +/- 0.04  99.930% * 99.8099% (0.72  10.0 10.00   3.00  36.79) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.93 +/- 1.04   0.062% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  16.26 +/- 1.11   0.005% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.69 +/- 2.81   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  22.45 +/- 2.84   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  25.35 +/- 1.85   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.845, support = 0.0199, residual support = 10.9:
          QD    PHE   59 - HA    THR  118   6.63 +/- 0.72  99.527% * 25.6201% (0.85   0.02  10.92) =  99.550%  kept
          HH2   TRP   49 - HA    THR  118  20.65 +/- 2.30   0.226% * 22.6222% (0.75   0.02   0.02) =   0.200%
          HE21  GLN   30 - HA    THR  118  20.95 +/- 2.26   0.150% * 26.1376% (0.87   0.02   0.02) =   0.153%
          HD1   TRP   27 - HA    THR  118  22.20 +/- 1.92   0.097% * 25.6201% (0.85   0.02   0.02) =   0.097%
    Distance limit 3.42 A violated in 20 structures by 3.21 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.47, support = 0.0199, residual support = 0.0199:
          HN    LEU  123 - HA    THR  118   6.94 +/- 0.24  99.637% * 43.4534% (0.47   0.02   0.02) =  99.703%  kept
          HZ2   TRP   49 - HA    THR  118  20.05 +/- 1.80   0.293% * 40.2018% (0.44   0.02   0.02) =   0.271%
          HE21  GLN   17 - HA    THR  118  23.83 +/- 1.71   0.070% * 16.3448% (0.18   0.02   0.02) =   0.026%
    Distance limit 3.80 A violated in 20 structures by 3.14 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.3, residual support = 37.0:
      O   HN    ILE  119 - HA    THR  118   3.57 +/- 0.04  99.988% * 99.6357% (0.51  10.0   5.30  37.05) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.15 +/- 1.24   0.003% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  17.98 +/- 1.30   0.007% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.03 +/- 2.46   0.002% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.92 +/- 2.96   0.002% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.57, residual support = 36.8:
      O   HN    THR  118 - HA    THR  118   2.81 +/- 0.04  99.487% * 99.6520% (0.51  10.0   3.57  36.79) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   6.84 +/- 0.20   0.489% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.52 +/- 0.68   0.023% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  24.09 +/- 1.79   0.000% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.379, support = 3.06, residual support = 36.8:
      O T HA    THR  118 - HB    THR  118   3.04 +/- 0.04  92.402% * 73.7174% (0.38  10.0 10.00   3.00  36.79) =  97.240%  kept
          HA    ILE  119 - HB    THR  118   4.66 +/- 0.21   7.474% * 25.8639% (0.53   1.0  1.00   5.01  37.05) =   2.760%  kept
          HD3   PRO   58 - HB    THR  118  10.33 +/- 0.93   0.071% *  0.0956% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  11.06 +/- 0.82   0.047% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.26 +/- 1.02   0.002% *  0.1501% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  18.01 +/- 1.32   0.002% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  21.26 +/- 1.18   0.001% *  0.0881% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.531, support = 3.51, residual support = 12.0:
          QG1   VAL  107 - QG2   THR  118   2.50 +/- 1.80  89.259% * 30.2865% (0.51   2.96   5.16) =  78.634%  kept
          HG13  ILE  119 - QG2   THR  118   4.21 +/- 0.70  10.692% * 68.6966% (0.62   5.53  37.05) =  21.366%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.98 +/- 1.48   0.042% *  0.3492% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.03 +/- 2.60   0.002% *  0.2627% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  16.39 +/- 1.60   0.002% *  0.3245% (0.80   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.26 +/- 0.95   0.003% *  0.0806% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.251, support = 1.5, residual support = 4.81:
        T HB3   ASP- 105 - QG2   THR  118   3.56 +/- 3.40  88.524% * 75.8847% (0.25 10.00   1.50   4.84) =  98.937%  kept
          QB    LYS+ 106 - QG2   THR  118   5.43 +/- 2.30   3.980% * 16.0776% (0.51  1.00   1.56   2.30) =   0.942%  kept
          HB3   PRO   58 - QG2   THR  118  10.95 +/- 1.29   1.043% *  5.9285% (0.62  1.00   0.47   0.02) =   0.091%
          HB    ILE   56 - QG2   THR  118   8.50 +/- 0.67   5.442% *  0.3442% (0.85  1.00   0.02   0.02) =   0.028%
          HB2   MET   92 - QG2   THR  118  12.30 +/- 1.01   0.277% *  0.3157% (0.78  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   THR  118  12.04 +/- 2.11   0.377% *  0.0720% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  14.68 +/- 1.45   0.168% *  0.0907% (0.22  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   THR  118  10.17 +/- 2.77   0.094% *  0.0810% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.35 +/- 1.92   0.018% *  0.3512% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  15.05 +/- 0.89   0.037% *  0.1632% (0.40  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  17.40 +/- 0.92   0.015% *  0.1915% (0.47  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  16.73 +/- 2.77   0.007% *  0.3631% (0.89  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  15.80 +/- 1.78   0.018% *  0.1366% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 2 structures by 0.68 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.561, support = 2.2, residual support = 10.7:
        T HB2   ASP- 105 - QG2   THR  118   3.46 +/- 3.22  71.881% * 63.3462% (0.51 10.00   1.50   4.84) =  81.917%  kept
          HG12  ILE  119 - QG2   THR  118   3.40 +/- 0.34  27.950% * 35.9616% (0.80  1.00   5.38  37.05) =  18.083%  kept
          HB2   ASP-  44 - QG2   THR  118   9.37 +/- 1.58   0.085% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  11.75 +/- 1.51   0.031% *  0.1377% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.83 +/- 1.44   0.031% *  0.0726% (0.44  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  12.84 +/- 1.16   0.009% *  0.0845% (0.51  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  15.02 +/- 1.48   0.004% *  0.0415% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  15.01 +/- 3.17   0.004% *  0.0415% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.65 +/- 1.80   0.001% *  0.1462% (0.88  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  16.57 +/- 0.97   0.002% *  0.0509% (0.31  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  17.90 +/- 1.54   0.001% *  0.0613% (0.37  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.363, support = 4.02, residual support = 36.8:
      O T HA    THR  118 - QG2   THR  118   2.55 +/- 0.15  84.938% * 41.5367% (0.34  10.0 10.00   3.73  36.79) =  80.172%  kept
        T HA    ILE  119 - QG2   THR  118   3.52 +/- 0.25  14.985% * 58.2274% (0.47   1.0 10.00   5.17  37.05) =  19.828%  kept
          HD3   PRO   58 - QG2   THR  118   9.34 +/- 0.89   0.046% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118  10.09 +/- 0.57   0.024% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  14.25 +/- 1.19   0.003% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  14.16 +/- 1.57   0.003% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.11 +/- 1.10   0.001% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.73, residual support = 36.8:
      O T HB    THR  118 - QG2   THR  118   2.15 +/- 0.02  99.750% * 99.8099% (0.72  10.0 10.00   3.73  36.79) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.99 +/- 1.06   0.244% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  11.80 +/- 1.53   0.004% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.30 +/- 2.29   0.001% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  17.40 +/- 2.28   0.000% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.80 +/- 1.44   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.985, residual support = 2.76:
          HD2   HIS  122 - QG2   THR  118   3.30 +/- 0.07  99.376% * 96.5030% (0.90   0.98   2.77) =  99.991%  kept
          HE22  GLN  116 - QG2   THR  118   8.71 +/- 0.66   0.330% *  1.9556% (0.89   0.02   0.02) =   0.007%
          QD    PHE   45 - QG2   THR  118   9.15 +/- 1.46   0.290% *  0.7356% (0.34   0.02   0.02) =   0.002%
          HE22  GLN   17 - QG2   THR  118  18.46 +/- 1.52   0.004% *  0.8058% (0.37   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.33 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.36, residual support = 10.9:
          QD    PHE   59 - QG2   THR  118   4.15 +/- 0.94  99.756% * 98.3017% (0.85   3.36  10.92) =  99.999%  kept
          HE21  GLN   30 - QG2   THR  118  15.39 +/- 2.05   0.113% *  0.5968% (0.87   0.02   0.02) =   0.001%
          HD1   TRP   27 - QG2   THR  118  16.35 +/- 1.98   0.068% *  0.5850% (0.85   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   THR  118  15.68 +/- 1.47   0.063% *  0.5165% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 4 structures by 0.83 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.17, residual support = 37.0:
        T QG2   THR  118 - HA    ILE  119   3.52 +/- 0.25 100.000% *100.0000% (0.57 10.00   5.17  37.05) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.473, support = 4.57, residual support = 46.9:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.02  58.595% * 59.0422% (0.45   5.06  55.62) =  83.345%  kept
          HD2   LYS+ 121 - HA    ILE  119   6.29 +/- 0.69  18.178% * 35.3355% (0.61   2.24   2.63) =  15.475%  kept
          HG    LEU  115 - HA    ILE  119   7.07 +/- 1.26  12.214% *  3.8765% (0.45   0.33  10.32) =   1.141%  kept
          QD    LYS+  66 - HA    ILE  119   8.10 +/- 2.28  10.179% *  0.1298% (0.25   0.02   0.02) =   0.032%
          HB3   LEU   40 - HA    ILE  119  12.41 +/- 3.63   0.483% *  0.3577% (0.69   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HA    ILE  119  12.45 +/- 1.34   0.286% *  0.3577% (0.69   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    ILE  119  16.86 +/- 0.98   0.044% *  0.5025% (0.97   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    ILE  119  19.30 +/- 1.40   0.020% *  0.3979% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 11 structures by 0.88 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 19.2:
          QD    PHE   59 - HA    ILE  119   4.71 +/- 0.51  99.888% * 25.6201% (0.95   0.02  19.23) =  99.895%  kept
          HH2   TRP   49 - HA    ILE  119  20.91 +/- 2.69   0.062% * 22.6222% (0.84   0.02   0.02) =   0.054%
          HE21  GLN   30 - HA    ILE  119  19.27 +/- 2.40   0.036% * 26.1376% (0.97   0.02   0.02) =   0.037%
          HD1   TRP   27 - HA    ILE  119  22.15 +/- 1.80   0.014% * 25.6201% (0.95   0.02   0.02) =   0.014%
    Distance limit 3.21 A violated in 18 structures by 1.50 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.78, residual support = 257.4:
      O   HN    ILE  119 - HA    ILE  119   2.84 +/- 0.01  99.997% * 99.7485% (0.98  10.0   8.78 257.41) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.39 +/- 1.01   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  19.74 +/- 1.28   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  21.81 +/- 3.21   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  21.97 +/- 2.60   0.001% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.205, support = 5.84, residual support = 53.0:
      O   HN    ALA  120 - HA    ILE  119   3.62 +/- 0.02  87.756% * 72.3937% (0.18  10.0   6.05  55.62) =  95.233%  kept
          HN    LEU  123 - HA    ILE  119   5.06 +/- 0.17  11.867% * 26.7878% (0.80   1.0   1.62   0.02) =   4.765%  kept
          HN    ALA  124 - HA    ILE  119   9.00 +/- 0.27   0.374% *  0.4052% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  20.38 +/- 1.53   0.003% *  0.4134% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.44, residual support = 14.8:
          HA    GLN  116 - HB    ILE  119   2.90 +/- 0.47  99.982% * 96.4474% (0.84   2.44  14.77) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  15.56 +/- 2.50   0.007% *  0.7897% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  16.37 +/- 1.25   0.005% *  0.4305% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  17.67 +/- 1.86   0.003% *  0.2526% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  22.88 +/- 2.48   0.001% *  0.5293% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  25.62 +/- 1.94   0.000% *  0.5942% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  22.53 +/- 1.86   0.001% *  0.1263% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  27.19 +/- 1.46   0.000% *  0.4633% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  29.14 +/- 1.26   0.000% *  0.3669% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 5.01, residual support = 55.4:
          HN    ALA  120 - HB    ILE  119   2.62 +/- 0.15  89.249% * 93.8390% (0.53   5.03  55.62) =  99.408%  kept
          HE21  GLN  116 - HB    ILE  119   4.59 +/- 1.45  10.070% *  4.9351% (0.22   0.64  14.77) =   0.590%  kept
          HN    LEU  123 - HB    ILE  119   6.05 +/- 0.23   0.611% *  0.1897% (0.27   0.02   0.02) =   0.001%
          HN    ALA  124 - HB    ILE  119   9.54 +/- 0.33   0.041% *  0.4922% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  10.46 +/- 0.97   0.029% *  0.1217% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  21.78 +/- 1.40   0.000% *  0.4223% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.54, residual support = 257.4:
      O   HN    ILE  119 - HB    ILE  119   2.41 +/- 0.15  99.999% * 99.7485% (0.85  10.0   7.54 257.41) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  20.85 +/- 1.17   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  20.87 +/- 1.18   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  24.39 +/- 2.35   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  24.42 +/- 1.81   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 55.6:
          HA    ALA  120 - QG2   ILE  119   3.62 +/- 0.22  96.430% * 94.9066% (0.57   3.85  55.62) =  99.987%  kept
          HA    LYS+  65 - QG2   ILE  119   8.87 +/- 1.54   0.650% *  0.8240% (0.95   0.02   0.02) =   0.006%
          HA    LYS+ 121 - QG2   ILE  119   6.72 +/- 0.16   2.420% *  0.1724% (0.20   0.02   2.63) =   0.005%
          HD2   PRO   52 - QG2   ILE  119  15.34 +/- 2.14   0.255% *  0.6657% (0.76   0.02   0.02) =   0.002%
          HA2   GLY   16 - QG2   ILE  119  14.01 +/- 1.71   0.036% *  0.7812% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  16.56 +/- 2.31   0.140% *  0.1344% (0.15   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  13.56 +/- 0.76   0.040% *  0.2172% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  18.18 +/- 1.40   0.010% *  0.2971% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  20.17 +/- 1.00   0.003% *  0.7812% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.76 +/- 1.52   0.009% *  0.2688% (0.31   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  20.01 +/- 1.13   0.004% *  0.4583% (0.53   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  21.03 +/- 1.96   0.003% *  0.4932% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.593, support = 5.49, residual support = 53.1:
          HN    ALA  120 - QG2   ILE  119   3.46 +/- 0.17  63.262% * 81.1280% (0.61   5.63  55.62) =  95.480%  kept
          HN    LEU  123 - QG2   ILE  119   4.52 +/- 0.25  13.363% * 17.9534% (0.31   2.45   0.02) =   4.463%  kept
          HE21  GLN  116 - QG2   ILE  119   4.79 +/- 1.51  21.604% *  0.1184% (0.25   0.02  14.77) =   0.048%
          HN    ALA  124 - QG2   ILE  119   6.90 +/- 0.40   1.061% *  0.3802% (0.80   0.02   0.02) =   0.008%
          HN    ALA   57 - QG2   ILE  119   8.65 +/- 1.09   0.703% *  0.0940% (0.20   0.02   0.02) =   0.001%
          HE21  GLN   17 - QG2   ILE  119  16.59 +/- 1.19   0.006% *  0.3261% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.87, residual support = 257.4:
          HN    ILE  119 - QG2   ILE  119   3.69 +/- 0.04  99.974% * 99.2740% (0.80   7.87 257.41) = 100.000%  kept
          HN    ILE   89 - QG2   ILE  119  18.11 +/- 0.99   0.008% *  0.3041% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - QG2   ILE  119  19.31 +/- 2.34   0.006% *  0.3144% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  16.65 +/- 0.95   0.013% *  0.1075% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 2.07, residual support = 8.98:
          QD2   LEU  115 - HG12  ILE  119   3.56 +/- 0.84  62.284% * 77.0084% (0.90   2.25  10.32) =  86.202%  kept
          QD1   LEU   63 - HG12  ILE  119   4.53 +/- 1.56  37.595% * 20.4196% (0.57   0.95   0.60) =  13.797%  kept
          QD1   LEU  104 - HG12  ILE  119  11.02 +/- 2.76   0.079% *  0.7633% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG12  ILE  119  13.77 +/- 1.78   0.018% *  0.4321% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  13.15 +/- 0.95   0.020% *  0.1178% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  17.99 +/- 1.23   0.003% *  0.7046% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  19.73 +/- 1.07   0.002% *  0.5542% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.828, support = 1.97, residual support = 8.31:
          QD2   LEU  115 - HG13  ILE  119   3.89 +/- 1.34  48.900% * 77.9353% (0.90   2.25  10.32) =  79.328%  kept
          QD1   LEU   63 - HG13  ILE  119   4.38 +/- 2.07  51.025% * 19.4618% (0.57   0.89   0.60) =  20.671%  kept
          QD1   LEU  104 - HG13  ILE  119  11.34 +/- 2.94   0.047% *  0.7725% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG13  ILE  119  13.78 +/- 2.20   0.012% *  0.4373% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  18.20 +/- 1.49   0.002% *  0.7131% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  13.74 +/- 1.23   0.011% *  0.1192% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  20.09 +/- 1.43   0.001% *  0.5609% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119   9.71 +/- 2.64 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.55 A violated in 20 structures by 6.16 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.98, residual support = 19.2:
          QD    PHE   59 - HG13  ILE  119   3.15 +/- 0.64  99.989% * 98.0891% (0.95   2.98  19.23) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  19.35 +/- 2.64   0.005% *  0.6715% (0.97   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  19.11 +/- 2.18   0.004% *  0.5812% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  22.00 +/- 1.96   0.002% *  0.6582% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.12, residual support = 257.4:
          HN    ILE  119 - HG13  ILE  119   3.29 +/- 0.50  99.988% * 99.1978% (0.80   7.12 257.41) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  19.34 +/- 1.48   0.004% *  0.3360% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  18.64 +/- 1.62   0.006% *  0.1188% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  22.94 +/- 2.91   0.002% *  0.3474% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.71, residual support = 19.2:
          QD    PHE   59 - HG12  ILE  119   2.57 +/- 0.70  99.988% * 98.9575% (0.84   3.71  19.23) = 100.000%  kept
          HH2   TRP   49 - HG12  ILE  119  18.57 +/- 2.22   0.007% *  0.1973% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG12  ILE  119  19.59 +/- 2.07   0.003% *  0.3112% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  21.75 +/- 1.53   0.001% *  0.5340% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.7, residual support = 257.4:
          HN    ILE  119 - HG12  ILE  119   2.24 +/- 0.23  99.999% * 99.2582% (0.80   7.70 257.41) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  18.53 +/- 1.20   0.000% *  0.3107% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  18.80 +/- 1.01   0.000% *  0.1098% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  23.16 +/- 2.26   0.000% *  0.3212% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   8.91 +/- 1.64 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.03 A violated in 20 structures by 5.89 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.343, support = 3.98, residual support = 8.23:
          QD2   LEU  115 - QD1   ILE  119   2.33 +/- 0.50  79.374% * 46.2304% (0.40  1.00   4.70  10.32) =  78.503%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.92 +/- 1.43  20.595% * 48.7867% (0.15 10.00   1.32   0.60) =  21.496%  kept
        T QD1   LEU  104 - QD1   ILE  119  10.55 +/- 2.11   0.016% *  3.2835% (0.66 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD1   ILE  119  12.01 +/- 1.48   0.006% *  0.7376% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  11.52 +/- 1.03   0.007% *  0.2706% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  17.04 +/- 0.90   0.001% *  0.4770% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  15.33 +/- 1.26   0.001% *  0.2143% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.98, residual support = 14.8:
        T HA    GLN  116 - QD1   ILE  119   3.07 +/- 0.64  99.873% * 99.4587% (0.51 10.00   3.98  14.77) = 100.000%  kept
          HA    VAL   70 - QD1   ILE  119  12.74 +/- 1.86   0.044% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD1   ILE  119  13.77 +/- 1.46   0.024% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  12.09 +/- 1.13   0.052% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  18.89 +/- 1.74   0.003% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  20.77 +/- 1.49   0.002% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  21.70 +/- 1.33   0.001% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.844, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   8.43 +/- 1.88  55.725% * 81.6578% (0.96 10.00   0.02   0.02) =  84.856%  kept
        T QD    PHE   72 - QD1   ILE  119   8.71 +/- 1.30  44.275% * 18.3422% (0.21 10.00   0.02   0.02) =  15.144%  kept
    Distance limit 3.25 A violated in 20 structures by 4.27 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.516, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.51 +/- 1.58  78.921% * 23.3518% (0.47   0.02   0.02) =  73.814%  kept
          QE    PHE   72 - QD1   ILE  119   7.59 +/- 1.58  18.888% * 29.0981% (0.59   0.02   0.02) =  22.013%  kept
          HN    ALA   47 - QD1   ILE  119  12.90 +/- 1.08   2.191% * 47.5501% (0.96   0.02   0.02) =   4.173%  kept
    Distance limit 3.30 A violated in 17 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.825, support = 1.22, residual support = 14.5:
          HN    HIS  122 - QD1   ILE  119   6.40 +/- 0.25   6.630% * 97.8609% (0.87   1.31  14.17) =  92.455%  kept
          HN    PHE   59 - QD1   ILE  119   3.96 +/- 0.53  93.355% *  0.5669% (0.33   0.02  19.23) =   7.542%  kept
          HH2   TRP   87 - QD1   ILE  119  18.43 +/- 1.55   0.015% *  1.5722% (0.91   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 3 structures by 0.52 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.95, residual support = 257.4:
          HN    ILE  119 - QD1   ILE  119   3.47 +/- 0.25  99.969% * 99.2797% (0.95   6.95 257.41) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  15.60 +/- 1.05   0.014% *  0.2434% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  16.43 +/- 1.24   0.010% *  0.2434% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  20.12 +/- 1.72   0.003% *  0.1885% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  19.63 +/- 1.48   0.004% *  0.0450% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.24, residual support = 25.1:
        T QD1   LEU  123 - HA    ALA  120   2.27 +/- 0.32  99.939% * 99.1996% (0.45 10.00   5.24  25.14) = 100.000%  kept
          HB3   LEU   63 - HA    ALA  120   9.75 +/- 2.06   0.034% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120  10.84 +/- 2.92   0.015% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  14.60 +/- 0.76   0.002% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  12.18 +/- 3.98   0.008% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.39 +/- 0.72   0.002% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  17.37 +/- 2.08   0.001% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.501, support = 3.61, residual support = 20.0:
          HN    LEU  123 - HA    ALA  120   2.66 +/- 0.13  56.690% * 44.8690% (0.80   1.0   3.60  25.14) =  52.129%  kept
      O   HN    ALA  120 - HA    ALA  120   2.79 +/- 0.05  42.846% * 54.5146% (0.18  10.0   3.61  14.43) =  47.868%  kept
          HN    ALA  124 - HA    ALA  120   5.93 +/- 0.29   0.463% *  0.3051% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  23.40 +/- 1.34   0.000% *  0.3113% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.26, residual support = 310.6:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  99.995% * 99.7700% (0.45  10.0   6.26 310.58) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  24.59 +/- 3.12   0.001% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  15.40 +/- 1.65   0.004% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.38 +/- 1.16   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.875, support = 2.65, residual support = 7.84:
          HA    THR  118 - HB2   LYS+ 121   2.65 +/- 0.79  95.728% * 34.2264% (0.87   2.52   8.28) =  92.205%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.93 +/- 0.36   4.263% * 64.9794% (0.97   4.29   2.63) =   7.795%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.70 +/- 1.45   0.007% *  0.1776% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  21.15 +/- 1.11   0.001% *  0.2398% (0.76   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  26.09 +/- 2.30   0.000% *  0.2896% (0.92   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.36 +/- 1.06   0.001% *  0.0872% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.67, residual support = 8.21:
        T HA    THR  118 - HB3   LYS+ 121   3.40 +/- 0.40  93.916% * 83.2053% (0.72 10.00   2.66   8.28) =  98.732%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.54 +/- 0.45   6.064% * 16.5518% (0.81  1.00   3.58   2.63) =   1.268%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.27 +/- 1.61   0.015% *  0.0543% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  21.26 +/- 1.42   0.002% *  0.0733% (0.64  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  26.74 +/- 2.31   0.001% *  0.0885% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.56 +/- 1.31   0.002% *  0.0267% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.39, residual support = 310.6:
      O   HN    LYS+ 121 - HB3   LYS+ 121   3.00 +/- 0.50  99.999% * 99.9582% (0.75  10.0   6.39 310.58) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  22.91 +/- 2.40   0.001% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.41, residual support = 49.2:
          HN    HIS  122 - HB3   LYS+ 121   3.67 +/- 0.26  99.948% * 99.5542% (0.75   6.41  49.22) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  13.56 +/- 0.77   0.047% *  0.1181% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  20.69 +/- 3.21   0.004% *  0.3276% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.25, residual support = 49.2:
          HN    HIS  122 - HB2   LYS+ 121   3.54 +/- 0.15  99.209% * 99.2218% (0.41   7.25  49.22) =  99.998%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.09 +/- 0.89   0.787% *  0.2271% (0.34   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB2   LYS+ 121  20.93 +/- 2.71   0.003% *  0.3241% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  23.22 +/- 1.93   0.001% *  0.2271% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.79, residual support = 310.6:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.28 +/- 0.48 100.000% * 99.9061% (0.92  10.0   6.79 310.58) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.30 +/- 2.50   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.498, support = 1.26, residual support = 11.0:
          QG2   ILE  119 - HB2   HIS  122   4.88 +/- 1.14  29.873% * 79.9700% (0.53   1.50  14.17) =  77.247%  kept
          QD2   LEU   67 - HB2   HIS  122   7.54 +/- 4.92  37.463% * 18.4322% (0.41   0.44   0.13) =  22.328%  kept
          QD1   LEU   40 - HB2   HIS  122   6.66 +/- 4.26  32.558% *  0.4011% (0.20   0.02   0.02) =   0.422%
          QD2   LEU   71 - HB2   HIS  122  12.65 +/- 3.09   0.069% *  0.5054% (0.25   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   HIS  122  13.34 +/- 2.73   0.037% *  0.6913% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 7 structures by 0.69 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.586, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   7.86 +/- 4.87  50.373% * 20.0916% (0.69   0.02   0.02) =  75.526%  kept
          QD2   LEU  115 - HB2   HIS  122   9.50 +/- 1.11  13.270% * 12.0248% (0.41   0.02   0.02) =  11.908%  kept
          QD1   LEU   63 - HB2   HIS  122   7.29 +/- 1.71  35.167% *  4.5130% (0.15   0.02   0.02) =  11.844%  kept
          QD1   LEU   73 - HB2   HIS  122  13.28 +/- 2.83   0.862% *  4.5130% (0.15   0.02   0.02) =   0.290%
          QG2   ILE   89 - HB2   HIS  122  16.47 +/- 0.81   0.212% * 16.5597% (0.57   0.02   0.02) =   0.262%
          QG1   VAL   83 - HB2   HIS  122  21.09 +/- 1.78   0.047% * 29.1845% (1.00   0.02   0.02) =   0.102%
          QD2   LEU   80 - HB2   HIS  122  19.56 +/- 1.44   0.069% * 13.1134% (0.45   0.02   0.02) =   0.068%
    Distance limit 4.01 A violated in 15 structures by 1.66 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.36, residual support = 67.4:
      O   HD2   HIS  122 - HB2   HIS  122   3.58 +/- 0.47  99.834% * 99.8219% (1.00  10.0   3.36  67.36) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  11.20 +/- 1.76   0.139% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.49 +/- 1.23   0.022% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  20.42 +/- 1.71   0.005% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.24, residual support = 67.4:
      O   HN    HIS  122 - HB2   HIS  122   3.30 +/- 0.61  99.477% * 99.7165% (0.41  10.0   5.24  67.36) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   8.65 +/- 1.45   0.517% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  21.01 +/- 3.10   0.003% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  22.46 +/- 2.24   0.002% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 67.4:
      O   HD2   HIS  122 - HB3   HIS  122   3.05 +/- 0.46  99.874% * 99.8219% (1.00  10.0   3.71  67.36) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.76 +/- 1.66   0.116% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.20 +/- 1.65   0.008% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  20.67 +/- 1.81   0.002% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.93, residual support = 67.4:
      O   HN    HIS  122 - HB3   HIS  122   2.91 +/- 0.43  99.941% * 99.8567% (0.90  10.0   5.93  67.36) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  11.89 +/- 1.28   0.058% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  21.00 +/- 3.53   0.001% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.506, support = 1.36, residual support = 12.1:
          QG2   ILE  119 - HB3   HIS  122   4.52 +/- 0.94  53.577% * 73.3626% (0.53  1.00   1.50  14.17) =  85.567%  kept
          QD2   LEU   67 - HB3   HIS  122   8.01 +/- 4.64  27.096% * 21.8603% (0.41  1.00   0.57   0.13) =  12.895%  kept
        T QD1   LEU   40 - HB3   HIS  122   7.02 +/- 4.36  19.173% *  3.6793% (0.20 10.00   0.02   0.02) =   1.536%  kept
          QD1   ILE  103 - HB3   HIS  122  13.19 +/- 3.21   0.084% *  0.6342% (0.34  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB3   HIS  122  13.01 +/- 3.07   0.069% *  0.4636% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.13, residual support = 25.1:
          HA    ALA  120 - HG    LEU  123   2.21 +/- 0.58  99.663% * 94.8764% (0.68  1.00   3.13  25.14) =  99.999%  kept
          HA    LYS+ 121 - HG    LEU  123   6.73 +/- 0.35   0.255% *  0.4195% (0.47  1.00   0.02   2.18) =   0.001%
          HA    LYS+  65 - HG    LEU  123  13.20 +/- 2.44   0.030% *  0.5102% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG    LEU  123   8.68 +/- 0.62   0.044% *  0.2083% (0.23  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  22.46 +/- 3.81   0.003% *  1.5230% (0.17 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  19.04 +/- 2.59   0.002% *  0.5478% (0.62  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  23.86 +/- 4.05   0.002% *  0.3705% (0.42  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  20.04 +/- 0.98   0.001% *  0.4668% (0.52  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.60 +/- 2.84   0.000% *  0.5298% (0.60  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  27.22 +/- 1.48   0.000% *  0.5478% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.52, residual support = 200.7:
          HN    LEU  123 - HG    LEU  123   3.62 +/- 0.22  99.899% * 99.5304% (0.36   5.52 200.72) = 100.000%  kept
          HZ2   TRP   49 - HG    LEU  123  24.55 +/- 4.35   0.099% *  0.3339% (0.33   0.02   0.02) =   0.000%
          HE21  GLN   17 - HG    LEU  123  22.90 +/- 1.50   0.002% *  0.1357% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 25.1:
          HA    ALA  120 - HB3   LEU  123   3.28 +/- 0.63  97.477% * 96.1950% (0.99   3.13  25.14) =  99.989%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.37 +/- 0.48   2.205% *  0.4254% (0.69   0.02   2.18) =   0.010%
          QB    SER  117 - HB3   LEU  123   9.58 +/- 0.60   0.189% *  0.2112% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  25.76 +/- 4.24   0.050% *  0.3756% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  14.17 +/- 2.72   0.029% *  0.5173% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  24.32 +/- 3.81   0.042% *  0.1544% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  19.59 +/- 2.89   0.003% *  0.5554% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  27.11 +/- 3.10   0.002% *  0.5372% (0.87   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.46 +/- 1.19   0.002% *  0.4733% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  28.20 +/- 1.45   0.000% *  0.5554% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.915, support = 5.36, residual support = 171.2:
      O   HN    LEU  123 - HB3   LEU  123   3.25 +/- 0.49  41.307% * 88.3635% (0.98  10.0   5.52 200.72) =  84.308%  kept
          HN    ALA  124 - HB3   LEU  123   3.22 +/- 0.47  58.693% * 11.5745% (0.57   1.0   4.54  12.40) =  15.692%  kept
          HE21  GLN   17 - HB3   LEU  123  23.70 +/- 1.55   0.000% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.16, residual support = 25.1:
          HA    ALA  120 - HB2   LEU  123   2.27 +/- 0.54  99.121% * 88.7441% (0.99  1.00   3.16  25.14) =  99.963%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.24 +/- 0.69   0.817% *  3.8963% (0.69 10.00   0.02   2.18) =   0.036%
        T HA    LYS+  65 - HB2   LEU  123  14.31 +/- 2.42   0.007% *  4.7378% (0.84 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU  123   8.57 +/- 0.64   0.050% *  0.1935% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  25.25 +/- 3.95   0.002% *  0.3440% (0.61  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  19.67 +/- 2.77   0.001% *  0.5087% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  23.66 +/- 3.62   0.002% *  0.1414% (0.25  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.50 +/- 0.89   0.000% *  0.4335% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  26.57 +/- 2.77   0.000% *  0.4920% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  27.31 +/- 1.33   0.000% *  0.5087% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.975, support = 5.9, residual support = 198.2:
      O   HN    LEU  123 - HB2   LEU  123   2.35 +/- 0.43  90.061% * 89.0868% (0.98  10.0   5.92 200.72) =  98.674%  kept
          HN    ALA  124 - HB2   LEU  123   4.06 +/- 0.35   9.939% * 10.8508% (0.57   1.0   4.22  12.40) =   1.326%  kept
          HE21  GLN   17 - HB2   LEU  123  23.68 +/- 1.52   0.000% *  0.0624% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 5.24, residual support = 25.1:
        T HA    ALA  120 - QD1   LEU  123   2.27 +/- 0.32  99.199% * 98.4994% (0.57 10.00   5.24  25.14) = 100.000%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.36 +/- 0.29   0.735% *  0.0344% (0.20  1.00   0.02   2.18) =   0.000%
          HA    LYS+  65 - QD1   LEU  123   9.95 +/- 2.15   0.026% *  0.1646% (0.95  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  18.30 +/- 2.91   0.017% *  0.1330% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  19.52 +/- 3.25   0.018% *  0.0268% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  14.67 +/- 2.29   0.002% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  21.64 +/- 2.29   0.000% *  0.5370% (0.31 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.03 +/- 0.91   0.001% *  0.0434% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.73 +/- 2.14   0.001% *  0.0593% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  22.02 +/- 1.12   0.000% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.69 +/- 2.40   0.000% *  0.0985% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  21.96 +/- 1.13   0.000% *  0.0915% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 1.82, residual support = 9.25:
      O   HN    ALA  124 - QB    ALA  124   2.26 +/- 0.33  98.962% * 99.6767% (0.57  10.0   1.82   9.25) =  99.998%  kept
          HN    LEU  123 - QB    ALA  124   5.57 +/- 0.41   1.038% *  0.1901% (0.98   1.0   0.02  12.40) =   0.002%
          HE21  GLN   17 - QB    ALA  124  20.54 +/- 1.89   0.000% *  0.1332% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 1.82, residual support = 9.25:
      O   HN    ALA  124 - HA    ALA  124   2.64 +/- 0.25  98.742% * 99.7402% (0.98  10.0   1.82   9.25) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.76 +/- 0.33   1.211% *  0.0897% (0.80   1.0   0.02  12.40) =   0.001%
          HN    ALA  120 - HA    ALA  124  10.04 +/- 0.40   0.040% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  14.89 +/- 1.61   0.004% *  0.0130% (0.12   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  24.32 +/- 2.21   0.000% *  0.1121% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  20.03 +/- 3.76   0.001% *  0.0104% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  21.29 +/- 4.34   0.001% *  0.0127% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  21.80 +/- 2.36   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.947, support = 4.46, residual support = 47.6:
      O   HN    ALA  124 - HA    LEU  123   2.29 +/- 0.01  77.931% * 55.0021% (0.98  10.0   4.12  12.40) =  81.298%  kept
      O   HN    LEU  123 - HA    LEU  123   2.83 +/- 0.04  21.945% * 44.9320% (0.80  10.0   5.95 200.72) =  18.702%  kept
          HN    ALA  120 - HA    LEU  123   6.73 +/- 0.19   0.124% *  0.0098% (0.18   1.0   0.02  25.14) =   0.000%
          HE21  GLN   17 - HA    LEU  123  21.81 +/- 1.74   0.000% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  16.49 +/- 4.26 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.23 A violated in 20 structures by 13.27 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.96, residual support = 22.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.30 +/- 0.11  99.999% * 99.7350% (0.69  10.0   5.96  22.39) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  18.33 +/- 0.66   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  22.23 +/- 1.03   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.55 +/- 0.47   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.56 +/- 1.10   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.3:
      O   HN    PHE   95 - HA    THR   94   2.17 +/- 0.03 100.000% *100.0000% (0.73  10.0   3.16  14.33) = 100.000%  kept
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.93, residual support = 82.3:
      O   HN    LEU   80 - HB2   LEU   80   2.99 +/- 0.63  99.973% * 99.7811% (1.00  10.0   5.93  82.34) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  16.67 +/- 0.69   0.006% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    CYSS  53 - HB2   LEU   80  16.47 +/- 1.23   0.005% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  14.25 +/- 0.76   0.016% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.5, residual support = 82.3:
      O   HN    LEU   80 - HB3   LEU   80   3.17 +/- 0.34  99.973% * 99.7811% (1.00  10.0   6.50  82.34) = 100.000%  kept
          HN    CYSS  53 - HB3   LEU   80  16.04 +/- 0.81   0.007% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   LEU   80  16.73 +/- 0.58   0.006% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  14.41 +/- 0.66   0.014% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.99, residual support = 82.3:
      O   HA    LEU   80 - HB3   LEU   80   2.80 +/- 0.18  98.413% * 99.6901% (0.98  10.0   4.99  82.34) =  99.999%  kept
          HA    THR   23 - HB3   LEU   80   6.32 +/- 1.00   1.172% *  0.0912% (0.90   1.0   0.02   6.67) =   0.001%
          HB    THR   23 - HB3   LEU   80   8.46 +/- 1.00   0.174% *  0.0912% (0.90   1.0   0.02   6.67) =   0.000%
          HA    ASP-  78 - HB3   LEU   80   7.86 +/- 0.39   0.241% *  0.0617% (0.61   1.0   0.02   2.86) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  19.67 +/- 0.74   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.515, support = 3.95, residual support = 82.3:
      O   QD2   LEU   80 - HB3   LEU   80   2.62 +/- 0.36  63.706% * 77.3053% (0.57  10.0  1.00   3.80  82.34) =  88.029%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.95 +/- 0.39  36.238% * 18.4793% (0.14  10.0  1.00   5.03  82.34) =  11.970%  kept
        T QD1   LEU   73 - HB3   LEU   80   9.28 +/- 0.80   0.033% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   80  14.31 +/- 0.91   0.002% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  15.65 +/- 1.24   0.001% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  11.29 +/- 0.59   0.008% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  17.96 +/- 0.79   0.001% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  11.06 +/- 0.86   0.010% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  18.63 +/- 1.87   0.001% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.64, residual support = 81.5:
      O   HA    LEU   80 - HG    LEU   80   3.46 +/- 0.42  79.505% * 94.3928% (0.63  10.0   4.68  82.34) =  98.857%  kept
          HA    THR   23 - HG    LEU   80   4.80 +/- 0.93  17.952% *  4.8224% (0.58   1.0   1.12   6.67) =   1.140%  kept
          HB    THR   23 - HG    LEU   80   6.90 +/- 0.83   1.576% *  0.0864% (0.58   1.0   0.02   6.67) =   0.002%
          HA    ASP-  78 - HG    LEU   80   8.53 +/- 0.99   0.531% *  0.0584% (0.39   1.0   0.02   2.86) =   0.000%
          HA    ASP- 105 - HG    LEU   40  10.19 +/- 0.92   0.162% *  0.0469% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   73  11.56 +/- 1.31   0.084% *  0.0343% (0.23   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  12.04 +/- 1.58   0.073% *  0.0343% (0.23   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  13.45 +/- 0.86   0.028% *  0.0375% (0.25   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.60 +/- 0.60   0.027% *  0.0294% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  13.53 +/- 0.46   0.025% *  0.0294% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.73 +/- 1.20   0.011% *  0.0247% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  16.92 +/- 0.72   0.006% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  20.29 +/- 0.77   0.002% *  0.0623% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.32 +/- 0.48   0.006% *  0.0232% (0.16   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  20.98 +/- 1.26   0.002% *  0.0650% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.55 +/- 1.32   0.002% *  0.0710% (0.48   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  21.59 +/- 1.42   0.002% *  0.0650% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  19.56 +/- 1.78   0.003% *  0.0212% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.74 +/- 0.65   0.003% *  0.0199% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.79 +/- 0.99   0.001% *  0.0439% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.17, support = 5.51, residual support = 158.5:
          HN    LEU   73 - HG    LEU   73   3.40 +/- 0.77  34.584% * 45.7393% (0.20   5.69 169.82) =  72.342%  kept
          HN    ILE   19 - HG12  ILE   19   2.99 +/- 0.68  52.830% *  8.5389% (0.03   6.14 172.42) =  20.631%  kept
          HN    VAL   42 - HG    LEU   40   5.50 +/- 1.27   2.528% * 34.9389% (0.37   2.29   1.22) =   4.039%  kept
          HN    VAL   42 - HG    LEU   73   4.49 +/- 1.07   8.021% *  8.1146% (0.20   1.01   1.80) =   2.977%  kept
          HN    LEU   73 - HG12  ILE   19   5.93 +/- 1.57   1.331% *  0.1378% (0.17   0.02   4.00) =   0.008%
          HN    VAL   42 - HG12  ILE   19   7.96 +/- 1.62   0.177% *  0.1378% (0.17   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   73   6.13 +/- 0.38   0.445% *  0.0325% (0.04   0.02   4.00) =   0.001%
          HN    LEU   73 - HG    LEU   40   9.29 +/- 1.08   0.044% *  0.3048% (0.37   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   80  11.36 +/- 0.77   0.011% *  0.4050% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.32 +/- 0.76   0.011% *  0.3331% (0.41   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  13.77 +/- 0.90   0.004% *  0.4050% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.32 +/- 1.24   0.007% *  0.0615% (0.08   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.16 +/- 0.64   0.005% *  0.0818% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.52 +/- 1.20   0.002% *  0.1757% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.18 +/- 0.72   0.000% *  0.4427% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  19.36 +/- 1.71   0.000% *  0.1507% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.93, residual support = 172.3:
      O T HA    LYS+  99 - HB3   LYS+  99   2.54 +/- 0.26  87.300% * 92.4677% (0.76  10.0 10.00   5.97 173.68) =  99.141%  kept
          HA    LEU   40 - HB3   LYS+  99   3.95 +/- 0.90  12.661% *  5.5234% (0.65   1.0  1.00   1.41  12.59) =   0.859%  kept
          HA    ASN   35 - HB3   LYS+  99   9.97 +/- 0.92   0.031% *  0.1085% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  14.91 +/- 4.88   0.005% *  0.1186% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  22.23 +/- 2.60   0.000% *  1.1169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.18 +/- 1.24   0.000% *  0.4974% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  16.89 +/- 1.62   0.001% *  0.0542% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  21.06 +/- 2.50   0.000% *  0.0542% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.38 +/- 1.47   0.000% *  0.0589% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.84, residual support = 173.7:
      O   HN    LYS+  99 - HB3   LYS+  99   3.18 +/- 0.25  97.527% * 99.4797% (0.31  10.0   3.84 173.68) =  99.998%  kept
          HE1   HIS  122 - HB3   LYS+  99   9.92 +/- 6.60   2.399% *  0.0804% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB3   LYS+  99  11.22 +/- 0.92   0.070% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  19.88 +/- 2.25   0.003% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  23.82 +/- 2.74   0.001% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.49, residual support = 16.7:
        T QD1   LEU  104 - HB3   LYS+  99   2.58 +/- 0.48  99.988% * 96.9482% (0.41 10.00   1.49  16.67) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  15.36 +/- 0.53   0.004% *  2.6441% (0.84 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  17.18 +/- 1.23   0.003% *  0.2746% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  15.65 +/- 1.56   0.003% *  0.0626% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  16.92 +/- 0.83   0.002% *  0.0705% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.98, residual support = 12.6:
        T QD2   LEU   40 - HB3   LYS+  99   2.76 +/- 0.62  99.257% * 99.6022% (0.76 10.00   1.98  12.59) =  99.999%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.27 +/- 0.51   0.571% *  0.0800% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB3   LYS+  99  10.18 +/- 2.50   0.156% *  0.0958% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  14.07 +/- 2.15   0.011% *  0.0329% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  17.35 +/- 0.90   0.003% *  0.1248% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  19.61 +/- 1.29   0.002% *  0.0642% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.61, residual support = 173.7:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.72 +/- 0.21  99.921% * 99.4593% (0.97  10.0   5.61 173.68) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.35 +/- 0.97   0.042% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  12.71 +/- 0.82   0.011% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  14.22 +/- 1.30   0.007% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  15.99 +/- 0.82   0.003% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  14.19 +/- 4.25   0.010% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.51 +/- 0.90   0.004% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.98 +/- 0.61   0.001% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.54 +/- 2.70   0.001% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.72 +/- 0.91   0.001% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 173.7:
      O T HB2   LYS+  99 - HA    LYS+  99   2.92 +/- 0.21  99.959% * 99.7492% (0.99  10.0 10.00   7.00 173.68) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.95 +/- 0.40   0.039% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  19.18 +/- 1.24   0.002% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  24.04 +/- 0.81   0.000% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.595, support = 5.2, residual support = 182.7:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.87 +/- 0.27  18.104% * 58.3907% (0.99  10.0  1.00   5.16 173.68) =  39.196%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.35 +/- 0.16  51.703% * 20.0954% (0.34  10.0 10.00   5.27 173.68) =  38.525%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.58 +/- 0.18  30.109% * 19.9563% (0.34  10.0 10.00   5.14 213.94) =  22.279%  kept
        T QD    LYS+ 106 - HG12  ILE   89   9.25 +/- 0.88   0.016% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   8.12 +/- 1.20   0.047% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  13.35 +/- 0.57   0.002% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.58 +/- 2.12   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38   9.83 +/- 1.16   0.013% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  20.79 +/- 0.66   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.15 +/- 1.86   0.002% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  17.57 +/- 0.63   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  12.19 +/- 0.66   0.003% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.14 +/- 0.53   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.76 +/- 1.20   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.48 +/- 1.06   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  24.89 +/- 1.91   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.20 +/- 0.78   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  24.59 +/- 1.07   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 173.7:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.50 +/- 0.22  99.718% * 97.9462% (0.99  10.0 10.00   6.44 173.68) =  99.999%  kept
        T HB    VAL   43 - HG12  ILE   89   7.29 +/- 0.42   0.202% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - HG3   LYS+  38   9.98 +/- 1.09   0.053% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.67 +/- 0.68   0.005% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  11.11 +/- 1.13   0.019% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  17.26 +/- 0.49   0.001% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  20.65 +/- 1.71   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.54 +/- 0.99   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.58 +/- 0.94   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  23.44 +/- 0.81   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  21.40 +/- 1.80   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.69 +/- 0.74   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 115.2:
    * O   HA    GLN  116 - HG3   GLN  116   3.51 +/- 0.33  99.987% * 99.5202% (1.00  10.0   5.21 115.16) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  20.82 +/- 1.38   0.003% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  20.66 +/- 1.71   0.003% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  23.47 +/- 2.60   0.004% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  22.27 +/- 1.67   0.002% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.38 +/- 2.56   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  30.66 +/- 1.35   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  28.12 +/- 1.42   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  31.71 +/- 1.63   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.76, residual support = 115.2:
      O   HB2   GLN  116 - HG3   GLN  116   2.36 +/- 0.16  99.848% * 99.6757% (0.98  10.0   5.76 115.16) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   8.88 +/- 2.53   0.150% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  16.47 +/- 1.15   0.001% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.61 +/- 1.64   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  26.18 +/- 2.27   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  29.20 +/- 1.27   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.79, residual support = 100.7:
          QD2   LEU  115 - HG3   GLN  116   3.61 +/- 0.45  99.145% * 98.7662% (0.97   6.79 100.68) =  99.999%  kept
          QD1   LEU   63 - HG3   GLN  116   9.72 +/- 1.12   0.527% *  0.2070% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   GLN  116  10.64 +/- 1.44   0.294% *  0.0465% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  15.55 +/- 1.26   0.020% *  0.2953% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  19.15 +/- 1.41   0.007% *  0.2070% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  22.50 +/- 2.21   0.005% *  0.2953% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  24.17 +/- 1.78   0.002% *  0.1827% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.49, residual support = 115.2:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   5.49 115.16) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  13.44 +/- 1.23   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  34.40 +/- 1.95   0.000% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 4.08, residual support = 115.2:
      O   HE21  GLN  116 - HG3   GLN  116   3.34 +/- 0.34  97.620% * 99.6819% (0.69  10.0   4.08 115.16) =  99.999%  kept
          HN    ALA  120 - HG3   GLN  116   6.68 +/- 0.57   2.184% *  0.0448% (0.31   1.0   0.02   0.25) =   0.001%
          HN    ALA   57 - HG3   GLN  116  11.00 +/- 1.51   0.194% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  23.24 +/- 2.94   0.002% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  29.80 +/- 1.29   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.34, residual support = 115.1:
          HN    GLN  116 - HG3   GLN  116   3.79 +/- 0.22  94.694% * 98.9567% (0.69   7.34 115.16) =  99.987%  kept
          HN    THR  118 - HG3   GLN  116   7.04 +/- 0.43   2.476% *  0.3622% (0.92   0.02   0.02) =   0.010%
          HN    GLU- 114 - HG3   GLN  116   7.00 +/- 0.49   2.586% *  0.0978% (0.25   0.02   0.19) =   0.003%
          HN    PHE   60 - HG3   GLN  116  10.81 +/- 1.24   0.243% *  0.3923% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG3   GLN  116  27.17 +/- 1.68   0.001% *  0.1910% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.59, residual support = 177.7:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.721% * 88.2996% (1.00  10.0 10.00   6.61 173.68) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.721% *  8.9120% (0.10  10.0 10.00   6.32 217.50) =   9.168%  kept
          QB    ALA   88 - HG12  ILE   89   4.46 +/- 0.21   0.191% *  0.0247% (0.28   1.0  1.00   0.02   7.36) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.88 +/- 1.10   0.004% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG12  ILE   89   4.45 +/- 0.85   0.299% *  0.0063% (0.07   1.0  1.00   0.02  12.31) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.46 +/- 1.17   0.017% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   6.39 +/- 0.70   0.029% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   8.29 +/- 1.43   0.007% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.59 +/- 0.91   0.005% *  0.0221% (0.25   1.0  1.00   0.02  17.77) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  15.42 +/- 1.74   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.33 +/- 1.02   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.92 +/- 0.66   0.001% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  14.49 +/- 4.82   0.000% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.72 +/- 2.69   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  11.03 +/- 1.12   0.001% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  14.45 +/- 1.18   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.93 +/- 1.54   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  11.08 +/- 0.59   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.03 +/- 0.63   0.001% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.63 +/- 0.78   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.49 +/- 0.76   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  16.70 +/- 1.18   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.02 +/- 1.64   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  19.11 +/- 0.44   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.45 +/- 0.88   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.71 +/- 0.57   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  19.47 +/- 0.62   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  23.18 +/- 0.77   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  22.28 +/- 0.55   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.36 +/- 5.05   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.21 +/- 1.13   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  21.32 +/- 1.14   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.33 +/- 1.61   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.58 +/- 0.79   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.27 +/- 0.81   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.81 +/- 0.79   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  22.08 +/- 0.87   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.85 +/- 2.51   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.44 +/- 1.07   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2699
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    112
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1744
      with multiple volume contributions     :    486
      eliminated by violation filter         :    104
 
    Peaks:
      selected                               :   2699
      without assignment                     :    134
      with assignment                        :   2565
      with unique assignment                 :   2023
      with multiple assignment               :    542
      with reference assignment              :   1605
      with identical reference assignment    :   1273
      with compatible reference assignment   :    324
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    960
 
    Atoms with eliminated volume contribution > 2.5:
    QG1   VAL   18       3.0
    QG2   VAL   18       2.9
    HA    HIS   22       3.0
    QB    LYS+  33       2.9
    QD2   LEU   40       4.0
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       4.0
    QD    PHE   60       4.8
    HN    LYS+  65       6.0
    HZ    PHE   72       3.0
    HA    THR  118       4.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 72.0:
        T HA    PHE   60 - QD    PHE   60   2.48 +/- 0.36  99.875% * 98.3426% (0.87 10.00   3.94  72.03) = 100.000%  kept
        T QB    SER  117 - QD    PHE   60  12.24 +/- 1.21   0.019% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  12.21 +/- 0.90   0.010% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   9.94 +/- 1.43   0.048% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  11.54 +/- 1.49   0.023% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  12.73 +/- 1.52   0.021% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.53 +/- 1.19   0.005% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 1.0, residual support = 70.4:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.685% * 99.2427% (0.69  10.0   1.00  70.42) =  99.999%  kept
          HN    TRP   87 - HZ3   TRP   87   6.55 +/- 0.23   0.311% *  0.1753% (0.61   1.0   0.02  70.42) =   0.001%
          HN    ALA   91 - HZ3   TRP   87  14.06 +/- 0.27   0.003% *  0.0892% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  21.09 +/- 1.02   0.000% *  0.2208% (0.76   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  20.88 +/- 1.78   0.000% *  0.1636% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  21.83 +/- 1.29   0.000% *  0.1084% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  21.84 +/- 1.99 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 4.59 A violated in 20 structures by 17.25 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.04, residual support = 5.21:
          QB    ALA   20 - HE1   HIS   22   3.78 +/- 0.29  99.976% * 93.0166% (0.76   1.04   5.21) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  18.07 +/- 2.27   0.012% *  2.2040% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  19.07 +/- 0.98   0.007% *  0.5810% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  23.54 +/- 1.48   0.002% *  1.2258% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  22.34 +/- 2.15   0.003% *  0.6478% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  29.26 +/- 2.57   0.001% *  2.3248% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.10 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.376, support = 4.6, residual support = 38.9:
          HN    ASN   28 - HD1   TRP   27   3.67 +/- 0.33  89.444% * 35.3949% (0.25   5.07  46.83) =  82.974%  kept
          HN    GLU-  25 - HD1   TRP   27   5.54 +/- 0.65  10.151% * 63.9695% (0.99   2.30   0.39) =  17.020%  kept
          HN    ASP-  44 - HD1   TRP   27   9.44 +/- 0.80   0.401% *  0.5491% (0.98   0.02   0.02) =   0.006%
          HN    ALA  110 - HD1   TRP   27  20.46 +/- 1.83   0.004% *  0.0864% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.99, residual support = 98.2:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.99  98.18) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (6.35, 7.32, 120.14 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 1.51, residual support = 98.2:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.9794% (0.89  10.0   1.51  98.18) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  15.24 +/- 1.34   0.002% *  0.0206% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.957, support = 3.7, residual support = 98.2:
          HA    TRP   27 - HE3   TRP   27   2.77 +/- 0.63  99.964% * 98.3613% (0.96   3.70  98.18) = 100.000%  kept
          HA    ALA   91 - HE3   TRP   27  17.14 +/- 0.78   0.007% *  0.5461% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HE3   TRP   27  16.94 +/- 0.35   0.005% *  0.5086% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  16.19 +/- 1.11   0.009% *  0.0791% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.46 +/- 1.27   0.005% *  0.0827% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  21.39 +/- 0.62   0.002% *  0.2068% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  19.37 +/- 1.54   0.003% *  0.0850% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  18.14 +/- 2.23   0.005% *  0.0132% (0.02   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  23.51 +/- 1.33   0.001% *  0.0850% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.34 +/- 0.91   0.001% *  0.0322% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.36, residual support = 98.2:
      O   HB3   TRP   27 - HE3   TRP   27   2.89 +/- 0.18  99.909% * 98.0783% (0.17  10.0   4.36  98.18) = 100.000%  kept
          QE    LYS+  99 - HE3   TRP   27  14.28 +/- 0.88   0.008% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    LEU   67  11.07 +/- 0.98   0.040% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  15.90 +/- 1.35   0.004% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  16.86 +/- 1.07   0.003% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  12.98 +/- 0.75   0.014% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.60 +/- 1.03   0.017% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  18.33 +/- 0.78   0.002% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.90 +/- 0.89   0.001% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  18.21 +/- 1.37   0.002% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (0.76, 7.32, 120.14 ppm):
    16 chemical-shift based assignments, quality = 0.799, support = 1.46, residual support = 9.01:
          QG1   VAL   43 - HE3   TRP   27   4.55 +/- 0.58  31.138% * 71.3817% (0.99   1.50   7.96) =  72.576%  kept
          QD2   LEU   73 - HE3   TRP   27   4.35 +/- 0.41  36.868% * 19.8468% (0.28   1.50  11.80) =  23.892%  kept
          HG    LEU   31 - HE3   TRP   27   4.86 +/- 0.64  22.528% *  4.6365% (0.41   0.24  12.18) =   3.411%  kept
          QG1   VAL   41 - HE3   TRP   27   7.53 +/- 0.92   1.439% *  0.9003% (0.94   0.02   0.02) =   0.042%
          QD1   ILE   19 - HE3   TRP   27   7.23 +/- 1.07   2.241% *  0.4633% (0.48   0.02   0.02) =   0.034%
          QG2   VAL   18 - HN    LEU   67   8.43 +/- 2.16   4.021% *  0.1367% (0.14   0.02   0.02) =   0.018%
          QG2   VAL   18 - HE3   TRP   27   9.11 +/- 1.11   0.505% *  0.8786% (0.91   0.02   0.02) =   0.015%
          QG2   THR   46 - HE3   TRP   27   9.31 +/- 0.68   0.388% *  0.7950% (0.83   0.02   0.02) =   0.010%
          QD1   ILE   19 - HN    LEU   67  10.65 +/- 1.74   0.344% *  0.0721% (0.08   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE3   TRP   27  13.79 +/- 1.18   0.035% *  0.3247% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    LEU   67  12.06 +/- 0.60   0.073% *  0.1481% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67  10.07 +/- 0.91   0.250% *  0.0412% (0.04   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    LEU   67  12.16 +/- 0.53   0.069% *  0.1401% (0.15   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  14.02 +/- 1.23   0.033% *  0.1237% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  12.93 +/- 1.32   0.057% *  0.0505% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  17.28 +/- 1.19   0.009% *  0.0609% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 54 (0.60, 7.32, 120.14 ppm):
    14 chemical-shift based assignments, quality = 0.387, support = 4.42, residual support = 11.8:
          QD1   LEU   73 - HE3   TRP   27   2.72 +/- 0.48  94.920% * 46.5544% (0.37   4.50  11.80) =  96.170%  kept
          QD2   LEU   80 - HE3   TRP   27   5.33 +/- 0.59   3.423% * 51.2943% (0.76   2.43  11.97) =   3.821%  kept
          QG1   VAL   83 - HE3   TRP   27   7.16 +/- 1.23   0.689% *  0.4946% (0.89   0.02   1.97) =   0.007%
          QD1   LEU   63 - HN    LEU   67   6.59 +/- 0.40   0.719% *  0.0322% (0.06   0.02   0.02) =   0.001%
          QG2   ILE   89 - HE3   TRP   27   9.14 +/- 0.49   0.088% *  0.1533% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  11.24 +/- 0.77   0.027% *  0.2070% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  13.37 +/- 0.98   0.010% *  0.5217% (0.94   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  11.34 +/- 1.37   0.042% *  0.0812% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  11.25 +/- 1.32   0.037% *  0.0623% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  11.23 +/- 1.17   0.038% *  0.0322% (0.06   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  17.24 +/- 1.59   0.002% *  0.4004% (0.72   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  17.70 +/- 1.38   0.002% *  0.0656% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  20.21 +/- 1.51   0.001% *  0.0770% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  16.70 +/- 0.82   0.002% *  0.0239% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 0.985, residual support = 2.96:
          QG2   VAL   75 - HE3   TRP   27   3.56 +/- 0.48  96.229% * 97.9000% (0.72   0.99   2.96) =  99.976%  kept
          QG2   VAL   42 - HE3   TRP   27   8.51 +/- 0.88   1.002% *  1.5496% (0.56   0.02   0.02) =   0.016%
          QG2   VAL   42 - HN    LEU   67   6.82 +/- 0.71   2.731% *  0.2411% (0.09   0.02   0.02) =   0.007%
          QG2   VAL   75 - HN    LEU   67  13.88 +/- 0.94   0.038% *  0.3093% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.49, residual support = 34.5:
      O T HB2   HIS   22 - HD2   HIS   22   3.73 +/- 0.17  99.991% * 99.9216% (0.92  10.0 10.00   2.49  34.46) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  18.70 +/- 1.45   0.007% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  23.53 +/- 1.89   0.002% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.1, residual support = 34.5:
      O T HB3   HIS   22 - HD2   HIS   22   3.65 +/- 0.29  99.964% * 99.8217% (0.45  10.0 10.00   3.10  34.46) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  19.42 +/- 3.63   0.036% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.885, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   7.01 +/- 1.48  75.863% * 29.7119% (0.92   0.02   0.02) =  83.134%  kept
          HB3   ASP-  78 - HD2   HIS   22   9.84 +/- 1.26  12.519% * 19.5221% (0.61   0.02   0.02) =   9.014%  kept
          QB    CYSS  50 - HD2   HIS   22  11.68 +/- 1.61   6.432% * 28.8658% (0.90   0.02   0.02) =   6.848%  kept
          HB2   PHE   72 - HD2   HIS   22  11.41 +/- 0.84   5.062% *  4.9662% (0.15   0.02   0.02) =   0.927%  kept
          HB3   ASN   69 - HD2   HIS   22  21.64 +/- 0.86   0.123% * 16.9340% (0.53   0.02   0.02) =   0.077%
    Distance limit 4.63 A violated in 15 structures by 2.07 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.09, residual support = 5.21:
        T QB    ALA   20 - HD2   HIS   22   3.09 +/- 0.67  99.921% * 98.9678% (0.28 10.00   2.09   5.21) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  16.43 +/- 1.57   0.017% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  13.47 +/- 1.25   0.058% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  20.23 +/- 1.17   0.003% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  27.08 +/- 1.91   0.001% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  25.26 +/- 2.58   0.001% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  20.51 +/- 1.58 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.58 A violated in 20 structures by 15.93 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.02, residual support = 6.24:
          HA    CYS   21 - HD2   HIS   22   3.98 +/- 0.44  99.375% * 97.2521% (0.95   3.02   6.24) =  99.998%  kept
          HA    ALA   47 - HD2   HIS   22  11.20 +/- 1.42   0.405% *  0.1894% (0.28   0.02   0.02) =   0.001%
          HA    TRP   49 - HD2   HIS   22  15.40 +/- 2.14   0.105% *  0.6812% (1.00   0.02   0.02) =   0.001%
          HA    CYSS  50 - HD2   HIS   22  14.13 +/- 1.64   0.095% *  0.6444% (0.95   0.02   0.02) =   0.001%
          HA1   GLY  109 - HD2   HIS   22  22.50 +/- 1.27   0.004% *  0.6574% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  19.20 +/- 1.27   0.012% *  0.1348% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  23.80 +/- 1.20   0.003% *  0.4407% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.988, support = 3.22, residual support = 46.5:
          HA    ASN   28 - HD1   TRP   27   4.39 +/- 0.80  93.427% * 79.2674% (1.00   3.23  46.83) =  98.694%  kept
          HA    THR   26 - HD1   TRP   27   7.31 +/- 0.34   5.334% * 18.3349% (0.28   2.68  22.05) =   1.303%  kept
          HA    LYS+  81 - HD1   TRP   27  10.49 +/- 1.59   0.985% *  0.0974% (0.20   0.02   0.02) =   0.001%
          HA    ALA   34 - HD1   TRP   27  14.04 +/- 1.28   0.094% *  0.4544% (0.92   0.02   0.02) =   0.001%
          HA1   GLY  101 - HD1   TRP   27  15.06 +/- 2.54   0.109% *  0.3762% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HD1   TRP   27  21.66 +/- 1.39   0.009% *  0.4879% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  22.87 +/- 1.64   0.007% *  0.3381% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  17.28 +/- 1.24   0.028% *  0.0666% (0.14   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  24.39 +/- 1.05   0.004% *  0.2985% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  29.20 +/- 1.58   0.001% *  0.2787% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.33 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.93, residual support = 25.8:
          HA    VAL   24 - HD1   TRP   27   2.69 +/- 0.83  99.964% * 99.5039% (1.00   4.93  25.79) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  17.07 +/- 1.29   0.028% *  0.2780% (0.69   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  20.07 +/- 1.60   0.005% *  0.0801% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  21.17 +/- 1.53   0.003% *  0.1380% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 1 structures by 0.09 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 98.2:
      O T HB2   TRP   27 - HD1   TRP   27   2.68 +/- 0.22  99.961% * 99.7544% (0.65  10.0 10.00   3.66  98.18) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  10.25 +/- 1.49   0.038% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.32 +/- 1.16   0.001% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 98.2:
      O T HB3   TRP   27 - HD1   TRP   27   3.64 +/- 0.10  99.963% * 99.6316% (0.73  10.0 10.00   4.09  98.18) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  16.51 +/- 1.33   0.014% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  15.88 +/- 0.79   0.016% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  18.00 +/- 1.39   0.008% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.761, support = 3.03, residual support = 25.7:
        T QG2   VAL   24 - HD1   TRP   27   2.35 +/- 0.73  91.696% * 94.4377% (0.76 10.00   3.04  25.79) =  99.558%  kept
          QG1   VAL   24 - HD1   TRP   27   4.26 +/- 0.92   8.297% *  4.6329% (0.31  1.00   2.43  25.79) =   0.442%
        T QG1   VAL  107 - HD1   TRP   27  16.40 +/- 0.84   0.004% *  0.7994% (0.65 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  18.77 +/- 1.46   0.003% *  0.0750% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  27.02 +/- 1.74   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  27.35 +/- 1.87   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.824, support = 2.89, residual support = 7.85:
          QD2   LEU   80 - HD1   TRP   27   3.73 +/- 1.35  41.749% * 50.8069% (0.87   3.34  11.97) =  54.764%  kept
          QG1   VAL   83 - HD1   TRP   27   3.77 +/- 1.60  47.237% * 33.7434% (0.80   2.40   1.97) =  41.153%  kept
          QD1   LEU   73 - HD1   TRP   27   6.46 +/- 1.14  10.854% * 14.5692% (0.49   1.71  11.80) =   4.083%  kept
          QG2   ILE   89 - HD1   TRP   27   9.18 +/- 1.07   0.140% *  0.0694% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HD1   TRP   27  15.82 +/- 1.29   0.008% *  0.3475% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  14.39 +/- 0.82   0.010% *  0.1707% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  19.89 +/- 1.53   0.002% *  0.2929% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.949, support = 0.849, residual support = 3.88:
          QG2   VAL   83 - HD1   TRP   27   3.47 +/- 1.15  85.768% * 40.8310% (1.00   0.72   1.97) =  81.222%  kept
          QD2   LEU   31 - HD1   TRP   27   5.53 +/- 0.98  13.918% * 58.1508% (0.73   1.41  12.18) =  18.771%  kept
          QD1   ILE   89 - HD1   TRP   27   8.90 +/- 0.92   0.314% *  1.0182% (0.90   0.02   0.02) =   0.007%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.2, residual support = 98.2:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.995% * 99.7536% (0.28  10.0 10.00   1.20  98.18) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  13.50 +/- 1.00   0.005% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.96, residual support = 98.2:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.96  98.18) = 100.000%  kept
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.51, residual support = 98.2:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.936% * 99.6415% (1.00  10.0   1.51  98.18) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   9.51 +/- 0.74   0.038% *  0.0804% (0.61   1.0   0.02   1.99) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  10.79 +/- 0.66   0.016% *  0.0857% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  13.53 +/- 1.56   0.007% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  15.24 +/- 1.34   0.002% *  0.0330% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  19.99 +/- 0.91   0.000% *  0.1299% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.919, support = 1.35, residual support = 7.93:
        T QG1   VAL   43 - HH2   TRP   27   2.09 +/- 0.45  93.423% * 88.6615% (0.92 10.00   1.35   7.96) =  99.576%  kept
          HG    LEU   31 - HH2   TRP   27   4.02 +/- 1.19   4.936% *  5.8324% (0.65  1.00   1.27  12.18) =   0.346%
          QD2   LEU   73 - HH2   TRP   27   6.17 +/- 0.56   1.273% *  5.0748% (0.49  1.00   1.47  11.80) =   0.078%
          QG1   VAL   41 - HH2   TRP   27   5.65 +/- 1.06   0.319% *  0.1419% (1.00  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HH2   TRP   27  11.03 +/- 0.92   0.021% *  0.0862% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.20 +/- 0.97   0.006% *  0.1033% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27   9.73 +/- 1.12   0.012% *  0.0395% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  10.83 +/- 1.30   0.007% *  0.0249% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  14.85 +/- 1.94   0.003% *  0.0355% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.917, support = 2.49, residual support = 7.95:
        T QG1   VAL   43 - HZ3   TRP   27   2.69 +/- 0.70  79.453% * 91.5645% (0.92 10.00   2.51   7.96) =  98.945%  kept
          HG    LEU   31 - HZ3   TRP   27   4.18 +/- 1.16  10.573% *  4.0684% (0.65  1.00   1.27  12.18) =   0.585%  kept
          QD2   LEU   73 - HZ3   TRP   27   4.43 +/- 0.52   8.463% *  4.0663% (0.49  1.00   1.68  11.80) =   0.468%
          QG1   VAL   41 - HZ3   TRP   27   6.03 +/- 1.30   1.102% *  0.0990% (1.00  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HZ3   TRP   27   9.94 +/- 0.98   0.113% *  0.0602% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HZ3   TRP   27   7.88 +/- 1.34   0.210% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HZ3   TRP   27   9.51 +/- 1.07   0.064% *  0.0720% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  11.85 +/- 1.36   0.014% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  14.55 +/- 1.69   0.008% *  0.0247% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 1.76, residual support = 11.8:
        T QD1   LEU   73 - HZ3   TRP   27   2.08 +/- 0.58  92.079% * 92.9465% (0.90 10.00   1.76  11.80) =  99.936%  kept
          QD2   LEU   80 - HZ3   TRP   27   6.87 +/- 0.78   0.980% *  5.3966% (0.53  1.00   1.74  11.97) =   0.062%
          QG2   VAL   41 - HZ3   TRP   27   3.89 +/- 1.31   3.957% *  0.0328% (0.28  1.00   0.02   0.02) =   0.002%
          QD1   LEU   80 - HZ3   TRP   27   8.19 +/- 1.69   2.177% *  0.0182% (0.15  1.00   0.02  11.97) =   0.000%
        T QD1   LEU   63 - HZ3   TRP   27  10.17 +/- 0.69   0.017% *  1.0582% (0.90 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HZ3   TRP   27   5.23 +/- 0.92   0.768% *  0.0182% (0.15  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  11.46 +/- 1.10   0.009% *  0.3642% (0.31 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  10.50 +/- 1.28   0.012% *  0.0986% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  16.15 +/- 1.42   0.001% *  0.0668% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.763, support = 1.72, residual support = 12.2:
        T QD2   LEU   31 - HZ3   TRP   27   2.54 +/- 1.30  90.392% * 98.2562% (0.76 10.00   1.72  12.18) =  99.855%  kept
          QG2   VAL   83 - HZ3   TRP   27   6.49 +/- 1.18   7.823% *  1.6142% (1.00  1.00   0.22   1.97) =   0.142%
          QD1   ILE   89 - HZ3   TRP   27   7.80 +/- 0.85   1.785% *  0.1295% (0.87  1.00   0.02   0.02) =   0.003%
    Distance limit 4.09 A violated in 2 structures by 0.22 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.767, support = 1.71, residual support = 12.0:
          QD2   LEU   31 - HH2   TRP   27   3.13 +/- 1.01  88.886% * 84.9693% (0.76   1.73  12.18) =  98.597%  kept
          QG2   VAL   83 - HH2   TRP   27   6.05 +/- 1.07   7.426% * 13.9141% (1.00   0.22   1.97) =   1.349%  kept
          QD1   ILE   89 - HH2   TRP   27   6.80 +/- 0.76   3.689% *  1.1167% (0.87   0.02   0.02) =   0.054%
    Distance limit 4.07 A violated in 1 structures by 0.05 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 1.74, residual support = 11.8:
          QD1   LEU   73 - HH2   TRP   27   3.74 +/- 0.36  42.148% * 57.7632% (1.00   1.75  11.80) =  97.597%  kept
          QD2   LEU   80 - HH2   TRP   27   7.50 +/- 0.73   1.366% * 40.1013% (0.76   1.58  11.97) =   2.195%  kept
          QG2   VAL   41 - HH2   TRP   27   3.65 +/- 1.10  54.948% *  0.0897% (0.14   0.02   0.02) =   0.198%
          QG1   VAL   83 - HH2   TRP   27   7.80 +/- 1.40   1.275% *  0.1023% (0.15   0.02   1.97) =   0.005%
          QD1   LEU   63 - HH2   TRP   27  10.68 +/- 0.76   0.091% *  0.6616% (1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HH2   TRP   27  11.05 +/- 1.22   0.079% *  0.4021% (0.61   0.02   0.02) =   0.001%
          QD1   LEU  104 - HH2   TRP   27  10.73 +/- 1.01   0.086% *  0.3488% (0.53   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  16.33 +/- 1.28   0.007% *  0.5309% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.2, residual support = 98.2:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.20  98.18) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (7.62, 6.75, 114.38 ppm):
    5 chemical-shift based assignments, quality = 0.952, support = 1.21, residual support = 16.4:
          HZ2   TRP   87 - HZ2   TRP   27   2.93 +/- 1.19  89.795% * 24.7490% (0.98   0.75   6.06) =  74.617%  kept
          HD21  ASN   28 - HZ2   TRP   27   5.39 +/- 0.41  10.147% * 74.5027% (0.87   2.55  46.83) =  25.382%  kept
          QE    PHE   60 - HZ2   TRP   27  13.11 +/- 1.83   0.047% *  0.4625% (0.69   0.02   0.02) =   0.001%
          HN    LEU   63 - HZ2   TRP   27  18.32 +/- 1.03   0.008% *  0.1679% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  20.92 +/- 1.60   0.003% *  0.1179% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.35, residual support = 98.2:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.35  98.18) = 100.000%  kept
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 6.06:
          HE1   TRP   87 - HZ2   TRP   27   4.57 +/- 1.16 100.000% *100.0000% (0.92   2.00   6.06) = 100.000%  kept
    Distance limit 4.32 A violated in 6 structures by 0.59 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.784, support = 1.83, residual support = 9.12:
        T QG2   VAL   43 - HZ2   TRP   27   3.33 +/- 0.92  72.445% * 50.0912% (0.90 10.00   1.09   7.96) =  72.518%  kept
        T QD2   LEU   31 - HZ2   TRP   27   4.08 +/- 0.55  27.555% * 49.9088% (0.49 10.00   3.78  12.18) =  27.482%  kept
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 2.04, residual support = 11.8:
        T QD1   ILE   89 - QD    PHE   45   3.65 +/- 0.39  80.160% * 90.9979% (0.90 10.00   2.04  12.06) =  97.735%  kept
          QG2   VAL   83 - QD    PHE   45   4.94 +/- 0.85  18.928% *  8.9284% (1.00  1.00   1.76   1.15) =   2.264%  kept
          QD2   LEU   31 - QD    PHE   45   8.00 +/- 0.41   0.913% *  0.0737% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.969, support = 2.87, residual support = 8.96:
          QD1   ILE   89 - QE    PHE   45   3.06 +/- 0.49  60.041% * 62.0347% (0.97   3.24  12.06) =  71.563%  kept
          QG2   VAL   83 - QE    PHE   45   3.44 +/- 0.80  39.228% * 37.7246% (0.98   1.94   1.15) =  28.434%  kept
          QD2   LEU   31 - QE    PHE   45   6.72 +/- 0.41   0.731% *  0.2408% (0.61   0.02   0.02) =   0.003%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.8:
        T QG1   VAL   75 - QD    PHE   45   2.35 +/- 0.41  99.976% * 99.9034% (1.00 10.00   2.96  17.84) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  10.55 +/- 1.18   0.024% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.0, residual support = 17.8:
        T HB    VAL   75 - QD    PHE   45   3.61 +/- 1.02  95.938% * 99.7390% (0.99 10.00   2.00  17.84) =  99.998%  kept
          HG3   LYS+  74 - QD    PHE   45   8.06 +/- 0.41   1.947% *  0.0378% (0.38  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD    PHE   45  10.10 +/- 0.91   0.636% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    PHE   45   9.66 +/- 0.62   0.736% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  11.15 +/- 1.52   0.325% *  0.0611% (0.61  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  10.90 +/- 1.14   0.287% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.61 +/- 0.66   0.131% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 3 structures by 0.28 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.633, support = 2.32, residual support = 8.77:
        T QG2   THR   77 - QD    PHE   45   2.92 +/- 0.54  86.021% * 76.1631% (0.65 10.00   2.25   8.45) =  96.973%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.48 +/- 0.06   8.766% * 23.2995% (0.20 10.00   4.41  19.15) =   3.023%  kept
          HB3   LEU   80 - QD    PHE   45   5.26 +/- 0.93   4.750% *  0.0442% (0.38  1.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QD    PHE   45   7.75 +/- 0.30   0.353% *  0.1136% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    PHE   45  10.94 +/- 0.96   0.071% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  12.13 +/- 0.60   0.022% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  13.99 +/- 1.17   0.012% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.40 +/- 0.35   0.004% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.89 +/- 0.38   0.001% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.758, support = 0.75, residual support = 25.8:
          QG2   THR   94 - QD    PHE   45   3.77 +/- 0.49  80.096% * 67.1270% (0.80   0.75  27.08) =  91.312%  kept
          HG12  ILE   89 - QD    PHE   45   4.96 +/- 0.37  19.760% * 25.8744% (0.31   0.75  12.06) =   8.683%  kept
          HB3   LEU   71 - QD    PHE   45  12.56 +/- 0.67   0.072% *  2.2157% (0.99   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - QD    PHE   45  16.15 +/- 1.48   0.020% *  1.7084% (0.76   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD    PHE   45  16.46 +/- 1.49   0.015% *  2.2355% (1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD    PHE   45  13.96 +/- 0.80   0.036% *  0.8390% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.31, residual support = 17.8:
        T QG1   VAL   75 - QE    PHE   45   2.76 +/- 0.34  99.971% * 99.9191% (0.90 10.00   2.31  17.84) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.85 +/- 1.25   0.029% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.594, support = 0.71, residual support = 11.4:
          HB    ILE   89 - QE    PHE   45   3.26 +/- 0.53  22.257% * 94.4406% (0.61   0.75  12.06) =  94.551%  kept
          HB    VAL   43 - QE    PHE   45   2.50 +/- 0.75  77.692% *  1.5584% (0.38   0.02   0.02) =   5.446%  kept
          QD    LYS+  81 - QE    PHE   45   9.33 +/- 1.04   0.037% *  1.2816% (0.31   0.02   0.02) =   0.002%
          QG1   ILE   56 - QE    PHE   45  11.50 +/- 1.75   0.009% *  0.6407% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QE    PHE   45  13.69 +/- 0.64   0.002% *  1.1545% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    PHE   45  13.34 +/- 0.61   0.003% *  0.9244% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 9.13:
          HB3   MET   96 - QE    PHE   45   3.41 +/- 1.16  99.605% * 93.6218% (0.45   2.00   9.13) =  99.994%  kept
          HB    VAL   18 - QE    PHE   45  12.51 +/- 0.71   0.213% *  1.4344% (0.69   0.02   0.02) =   0.003%
          HB2   LEU   40 - QE    PHE   45  13.30 +/- 0.79   0.086% *  1.7443% (0.84   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QE    PHE   45  16.36 +/- 0.76   0.033% *  1.9277% (0.92   0.02   0.02) =   0.001%
          HB2   LEU   67 - QE    PHE   45  14.83 +/- 1.91   0.048% *  0.8585% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  18.92 +/- 1.03   0.015% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 2 structures by 0.22 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.221, support = 1.87, residual support = 9.06:
        T HB2   MET   96 - QE    PHE   45   3.79 +/- 0.91  88.048% * 82.4540% (0.22 10.00   1.88   9.13) =  99.282%  kept
          HG3   MET   92 - QE    PHE   45   7.17 +/- 1.30   6.110% *  5.5715% (0.97  1.00   0.29   0.02) =   0.466%
          HB3   ASP-  76 - QE    PHE   45   8.70 +/- 0.36   1.368% *  8.1821% (0.73  1.00   0.57   0.02) =   0.153%
          QG    GLN   90 - QE    PHE   45   7.46 +/- 0.58   3.669% *  1.8719% (0.22  1.00   0.43   0.02) =   0.094%
        T HB3   PHE   72 - QE    PHE   45  10.05 +/- 0.62   0.430% *  0.6893% (0.18 10.00   0.02   0.02) =   0.004%
          HB2   GLU-  29 - QE    PHE   45  12.85 +/- 0.90   0.166% *  0.3530% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   45  11.71 +/- 1.21   0.109% *  0.3633% (0.92  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QE    PHE   45  13.44 +/- 1.40   0.061% *  0.2071% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.33 +/- 0.99   0.019% *  0.2546% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.12 +/- 1.31   0.020% *  0.0533% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 2 structures by 0.17 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.3:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  99.294% * 99.8696% (0.53  10.0 10.00   1.00  80.32) =  99.999%  kept
          HZ3   TRP   27 - QE    PHE   45   5.65 +/- 0.73   0.706% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 80.3:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.997% * 99.6976% (0.65  10.0   3.51  80.32) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  13.61 +/- 2.18   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  19.00 +/- 1.69   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  17.74 +/- 1.35   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.13:
          HB3   MET   96 - QD    PHE   45   4.83 +/- 0.64  98.654% * 96.5080% (0.80   2.00   9.13) =  99.993%  kept
          HB    VAL   18 - QD    PHE   45  11.57 +/- 0.66   0.747% *  0.4111% (0.34   0.02   0.02) =   0.003%
          HB2   LEU   40 - QD    PHE   45  14.32 +/- 0.54   0.169% *  1.2053% (1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD    PHE   45  14.22 +/- 0.71   0.192% *  0.7310% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD    PHE   45  14.52 +/- 1.85   0.202% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  19.10 +/- 1.00   0.034% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  27.85 +/- 1.81   0.004% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 4 structures by 0.38 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.869, support = 1.91, residual support = 8.35:
          HB2   MET   96 - QD    PHE   45   5.49 +/- 0.39  37.054% * 63.6267% (0.87   2.00   9.13) =  91.513%  kept
          HB3   ASP-  76 - QD    PHE   45   7.43 +/- 0.31   6.027% * 33.8915% (0.92   1.00   0.02) =   7.929%  kept
          HG3   MET   92 - QD    PHE   45   5.18 +/- 1.30  55.897% *  0.2502% (0.34   0.02   0.02) =   0.543%  kept
          HB2   ASP- 105 - QD    PHE   45  11.93 +/- 0.92   0.396% *  0.5326% (0.73   0.02   0.02) =   0.008%
          HB    VAL   70 - QD    PHE   45  13.13 +/- 0.76   0.193% *  0.3289% (0.45   0.02   0.02) =   0.002%
          QG    GLN   17 - QD    PHE   45  14.15 +/- 0.74   0.127% *  0.2753% (0.38   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QD    PHE   45  13.86 +/- 0.58   0.140% *  0.2039% (0.28   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   45  13.95 +/- 0.72   0.135% *  0.1829% (0.25   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QD    PHE   45  17.89 +/- 0.92   0.030% *  0.7079% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 80.3:
      O T HB3   PHE   45 - QD    PHE   45   2.29 +/- 0.03  99.911% * 99.5701% (0.80  10.0 10.00   4.93  80.32) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   8.83 +/- 0.51   0.032% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   8.28 +/- 0.83   0.051% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  13.99 +/- 1.58   0.002% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.59 +/- 0.57   0.001% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  14.04 +/- 0.90   0.002% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.22, residual support = 80.3:
      O T HB2   PHE   45 - QD    PHE   45   2.68 +/- 0.04  99.796% * 99.8423% (0.97  10.0 10.00   4.22  80.32) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   8.30 +/- 1.47   0.197% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  13.73 +/- 0.87   0.006% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.1:
          HB    THR   94 - QD    PHE   45   3.98 +/- 0.54  95.687% * 93.8952% (0.69   2.96  27.08) =  99.973%  kept
          QB    SER   85 - QD    PHE   45   8.09 +/- 0.43   1.899% *  0.8745% (0.95   0.02   0.02) =   0.018%
          QB    SER   48 - QD    PHE   45   9.89 +/- 0.46   0.526% *  0.7403% (0.80   0.02   0.02) =   0.004%
          HA    ALA   88 - QD    PHE   45   8.46 +/- 0.42   1.355% *  0.1426% (0.15   0.02   0.02) =   0.002%
          HD2   PRO   52 - QD    PHE   45  10.77 +/- 0.68   0.295% *  0.2853% (0.31   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    PHE   45  13.84 +/- 0.31   0.067% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.31 +/- 1.20   0.025% *  0.8291% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  13.99 +/- 0.74   0.067% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  17.50 +/- 0.76   0.016% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  18.07 +/- 0.75   0.013% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.37 +/- 0.92   0.017% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  15.67 +/- 0.53   0.032% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.341, support = 4.35, residual support = 19.1:
          HA    ASP-  44 - QD    PHE   45   2.67 +/- 0.36  96.397% * 93.6120% (0.34   4.35  19.15) =  99.986%  kept
          HB    THR   77 - QD    PHE   45   5.24 +/- 0.65   3.100% *  0.3509% (0.28   0.02   8.45) =   0.012%
          HA    SER   85 - QD    PHE   45   7.82 +/- 0.53   0.252% *  0.3509% (0.28   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD    PHE   45   9.65 +/- 0.38   0.062% *  1.2370% (0.98   0.02   0.02) =   0.001%
          HA    TRP   87 - QD    PHE   45   8.20 +/- 0.38   0.167% *  0.1947% (0.15   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  14.18 +/- 0.57   0.005% *  1.0541% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  11.67 +/- 0.56   0.016% *  0.2497% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  20.01 +/- 0.86   0.001% *  1.2592% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  24.98 +/- 1.35   0.000% *  1.2179% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  26.95 +/- 2.32   0.000% *  0.4736% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.93, residual support = 80.3:
          HA    PHE   45 - QD    PHE   45   3.10 +/- 0.27  97.820% * 96.7746% (0.25   4.93  80.32) =  99.990%  kept
          HA    MET   92 - QD    PHE   45   6.04 +/- 0.47   2.116% *  0.3923% (0.25   0.02   0.02) =   0.009%
          HA    VAL   41 - QD    PHE   45  10.79 +/- 0.16   0.059% *  1.2598% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.71 +/- 1.34   0.005% *  1.5733% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.56, residual support = 77.2:
          HN    PHE   45 - QD    PHE   45   2.09 +/- 0.37  93.426% * 56.0990% (0.45   5.62  80.32) =  94.853%  kept
          HN    ASP-  44 - QD    PHE   45   3.92 +/- 0.34   6.556% * 43.3786% (0.45   4.35  19.15) =   5.147%  kept
          HN    ALA  110 - QD    PHE   45  10.15 +/- 1.56   0.012% *  0.3058% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  11.76 +/- 0.67   0.005% *  0.2167% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.3:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.995% * 99.7606% (0.98  10.0   1.00  80.32) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.58 +/- 0.95   0.005% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.60 +/- 0.93   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 104 (6.61, 7.35, 128.88 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 4.0, residual support = 40.7:
          HN    TRP   49 - HD1   TRP   49   2.13 +/- 0.69  67.532% * 34.4860% (0.38   4.60  74.80) =  52.358%  kept
          HN    CYSS  50 - HD1   TRP   49   2.67 +/- 1.23  32.467% * 65.2719% (0.98   3.34   3.13) =  47.642%  kept
          HN    VAL   83 - HD1   TRP   49  15.61 +/- 1.48   0.001% *  0.2421% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.07, residual support = 74.8:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.07  74.80) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 74.8:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  74.80) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  17.73 +/- 0.80   0.001% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  24.04 +/- 2.43   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 74.8:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  74.80) = 100.000%  kept
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 74.8:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.998% * 99.8708% (1.00  10.0   1.00  74.80) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  22.84 +/- 3.29   0.002% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 110 (0.08, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.864, support = 1.58, residual support = 10.0:
          QD1   ILE   89 - HZ    PHE   45   3.18 +/- 0.67  73.119% * 60.5824% (0.84   1.73  12.06) =  81.232%  kept
          QG2   VAL   83 - HZ    PHE   45   4.10 +/- 0.96  26.406% * 38.7459% (0.99   0.93   1.15) =  18.762%  kept
          QD2   LEU   31 - HZ    PHE   45   7.14 +/- 0.45   0.476% *  0.6717% (0.80   0.02   0.02) =   0.006%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.83, residual support = 74.8:
      O T HB2   TRP   49 - HD1   TRP   49   3.83 +/- 0.28  99.705% * 99.5547% (0.65  10.0 10.00   3.83  74.80) = 100.000%  kept
          HA    VAL   75 - HD1   TRP   49  12.82 +/- 1.21   0.090% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HD1   TRP   49  13.61 +/- 1.36   0.064% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  13.26 +/- 2.49   0.101% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  15.14 +/- 1.37   0.033% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  21.88 +/- 1.92   0.004% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  22.38 +/- 1.52   0.003% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 3.83, residual support = 74.8:
      O T HB3   TRP   49 - HD1   TRP   49   3.12 +/- 0.22  99.995% * 99.9191% (0.90  10.0 10.00   3.83  74.80) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  16.70 +/- 1.18   0.005% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.78, residual support = 16.1:
          QB    ALA   47 - HD1   TRP   49   2.23 +/- 0.93  99.988% * 99.0286% (0.84   3.78  16.05) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  15.78 +/- 1.08   0.004% *  0.4551% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  17.64 +/- 2.02   0.005% *  0.2352% (0.38   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  16.38 +/- 1.33   0.003% *  0.2810% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.864, support = 0.747, residual support = 3.48:
          HB3   PRO   52 - HZ2   TRP   49   4.88 +/- 0.84  87.537% * 69.1350% (0.87  1.00   0.75   3.50) =  99.574%  kept
        T HG    LEU  123 - HZ2   TRP   49  24.55 +/- 4.35   0.780% * 18.4360% (0.87 10.00   0.02   0.02) =   0.237%
          HB3   GLN   90 - HZ2   TRP   49  10.04 +/- 2.61  10.048% *  0.9529% (0.45  1.00   0.02   0.02) =   0.158%
          HG2   ARG+  54 - HZ2   TRP   49  10.44 +/- 0.74   0.885% *  1.4599% (0.69  1.00   0.02   0.02) =   0.021%
          QB    LYS+  81 - HZ2   TRP   49  12.20 +/- 1.46   0.550% *  0.7977% (0.38  1.00   0.02   0.02) =   0.007%
          QB    LYS+ 106 - HZ2   TRP   49  14.78 +/- 1.44   0.139% *  0.7250% (0.34  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HZ2   TRP   49  20.83 +/- 1.16   0.015% *  1.3749% (0.65  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  22.32 +/- 1.49   0.012% *  1.2891% (0.61  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  23.28 +/- 1.52   0.009% *  1.5433% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  23.42 +/- 1.06   0.008% *  0.9529% (0.45  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  21.87 +/- 1.12   0.011% *  0.5909% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  25.76 +/- 1.14   0.005% *  1.1182% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  28.70 +/- 1.74   0.002% *  1.6243% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 3 structures by 0.63 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 16.1:
          QB    ALA   47 - HZ2   TRP   49   4.30 +/- 0.45  99.791% * 98.0051% (0.69   2.03  16.05) =  99.999%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  15.10 +/- 2.19   0.134% *  0.3498% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   42 - HZ2   TRP   49  15.95 +/- 0.72   0.043% *  0.7942% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  17.12 +/- 1.19   0.031% *  0.8509% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.21 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.34, support = 0.748, residual support = 3.49:
          HG2   PRO   52 - HH2   TRP   49   4.32 +/- 0.61  97.024% * 73.0242% (0.34   0.75   3.50) =  99.796%  kept
          HG2   MET   92 - HH2   TRP   49   9.18 +/- 1.67   2.756% *  4.9520% (0.87   0.02   0.02) =   0.192%
          QG    GLU- 114 - HH2   TRP   49  13.72 +/- 1.27   0.146% *  4.5712% (0.80   0.02   0.02) =   0.009%
          HB2   GLU-  79 - HH2   TRP   49  16.95 +/- 1.30   0.034% *  4.1454% (0.73   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HH2   TRP   49  16.90 +/- 1.46   0.036% *  0.9998% (0.18   0.02   0.02) =   0.001%
          QG    GLU-  15 - HH2   TRP   49  27.80 +/- 1.80   0.002% *  1.4235% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HH2   TRP   49  28.53 +/- 1.46   0.002% *  1.1298% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  36.23 +/- 1.67   0.000% *  4.9520% (0.87   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  28.42 +/- 2.07   0.001% *  0.8808% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  37.57 +/- 2.35   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.12 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.49:
          HB3   PRO   52 - HH2   TRP   49   4.51 +/- 0.33  95.177% * 92.8146% (0.87   2.00   3.50) =  99.962%  kept
          HG    LEU  123 - HH2   TRP   49  24.84 +/- 4.88   1.995% *  0.9281% (0.87   0.02   0.02) =   0.021%
          HB3   GLN   90 - HH2   TRP   49  11.57 +/- 2.85   1.785% *  0.4797% (0.45   0.02   0.02) =   0.010%
          HG2   ARG+  54 - HH2   TRP   49  10.23 +/- 0.83   0.762% *  0.7350% (0.69   0.02   0.02) =   0.006%
          QB    LYS+  81 - HH2   TRP   49  13.91 +/- 1.52   0.174% *  0.4016% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HH2   TRP   49  15.87 +/- 1.84   0.072% *  0.3650% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  21.81 +/- 1.66   0.009% *  0.6922% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  23.82 +/- 2.00   0.006% *  0.6490% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.67 +/- 2.01   0.005% *  0.7770% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  22.59 +/- 1.43   0.007% *  0.2975% (0.28   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  25.08 +/- 1.56   0.004% *  0.4797% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  27.33 +/- 1.44   0.002% *  0.5629% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  29.67 +/- 1.93   0.001% *  0.8177% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 1 structures by 0.24 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.29, residual support = 20.1:
      O   QB    PHE   55 - QD    PHE   55   2.14 +/- 0.01  99.550% * 99.2903% (0.25  10.0   2.29  20.12) =  99.999%  kept
          HD3   PRO   93 - QD    PHE   55   6.81 +/- 1.63   0.285% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   55   6.90 +/- 0.82   0.122% *  0.2415% (0.61   1.0   0.02   3.80) =   0.000%
          HB3   CYSS  53 - QD    PHE   55   7.87 +/- 0.38   0.043% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.42 +/- 0.97   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.847, support = 1.95, residual support = 18.7:
          HA    PHE   55 - QD    PHE   55   2.95 +/- 0.28  91.287% * 53.3867% (0.84   1.99  20.12) =  92.557%  kept
          HA    ALA  110 - QD    PHE   55   5.88 +/- 3.32   8.618% * 45.4739% (1.00   1.42   0.49) =   7.443%  kept
          HA    VAL  107 - QD    PHE   55  10.67 +/- 1.84   0.059% *  0.2186% (0.34   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  12.13 +/- 1.76   0.028% *  0.1427% (0.22   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  15.74 +/- 1.46   0.005% *  0.6184% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.52 +/- 1.02   0.002% *  0.1598% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 124 (1.43, 7.32, 132.31 ppm):
    14 chemical-shift based assignments, quality = 0.781, support = 0.389, residual support = 0.47:
          QB    ALA  110 - QD    PHE   55   4.42 +/- 3.34  81.530% * 43.1787% (0.80  1.00   0.40   0.49) =  96.351%  kept
          HB3   LEU  115 - QD    PHE   55   6.39 +/- 1.09  13.187% *  8.7574% (0.31  1.00   0.21   0.02) =   3.161%  kept
          QB    ALA   61 - QD    PHE   55   9.71 +/- 0.86   4.397% *  2.6220% (0.97  1.00   0.02   0.02) =   0.316%
        T QG    LYS+  66 - QD    PHE   55  14.44 +/- 1.02   0.218% * 25.7012% (0.95 10.00   0.02   0.02) =   0.153%
        T HG    LEU   67 - QD    PHE   55  18.90 +/- 1.63   0.030% *  6.0489% (0.22 10.00   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QD    PHE   55  15.47 +/- 1.85   0.311% *  0.5377% (0.20  1.00   0.02   0.02) =   0.005%
          HB3   LYS+  74 - QD    PHE   55  17.02 +/- 1.10   0.170% *  0.4758% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - QD    PHE   55  18.69 +/- 0.77   0.026% *  2.7169% (1.00  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QD    PHE   55  20.15 +/- 1.03   0.033% *  2.1756% (0.80  1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - QD    PHE   55  21.18 +/- 1.57   0.034% *  1.9729% (0.73  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - QD    PHE   55  20.33 +/- 1.07   0.025% *  2.2694% (0.84  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - QD    PHE   55  20.23 +/- 1.20   0.023% *  0.8386% (0.31  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   55  20.42 +/- 1.10   0.014% *  0.8386% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  25.46 +/- 2.19   0.003% *  1.8663% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 2 structures by 0.46 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 0.0199, residual support = 0.0199:
          QD2   LEU  115 - QD    PHE   55   5.72 +/- 0.92  92.965% *  6.9139% (0.87  1.00   0.02   0.02) =  91.657%  kept
          QD1   LEU   63 - QD    PHE   55   9.73 +/- 0.72   4.702% *  7.9528% (1.00  1.00   0.02   0.02) =   5.333%  kept
        T QD2   LEU   80 - QD    PHE   55  17.39 +/- 0.77   0.173% * 66.5753% (0.84 10.00   0.02   0.02) =   1.640%  kept
          QD2   LEU   63 - QD    PHE   55  11.61 +/- 0.95   1.733% *  4.1935% (0.53  1.00   0.02   0.02) =   1.036%  kept
          QD1   LEU   73 - QD    PHE   55  16.94 +/- 0.79   0.185% *  7.9528% (1.00  1.00   0.02   0.02) =   0.210%
          QD1   LEU  104 - QD    PHE   55  17.50 +/- 1.58   0.150% *  4.8344% (0.61  1.00   0.02   0.02) =   0.104%
          QG1   VAL   83 - QD    PHE   55  19.16 +/- 0.83   0.091% *  1.5774% (0.20  1.00   0.02   0.02) =   0.021%
    Distance limit 4.22 A violated in 16 structures by 1.46 A, eliminated.
    Peak unassigned.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.989, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   4.75 +/- 1.67  99.425% * 72.5341% (0.99   0.02   0.02) =  99.781%  kept
          HB3   TRP   49 - QE    PHE   95  13.97 +/- 1.38   0.575% * 27.4659% (0.38   0.02   0.02) =   0.219%
    Distance limit 4.16 A violated in 7 structures by 1.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.303, support = 2.65, residual support = 42.2:
          HB    VAL  107 - QE    PHE   95   4.13 +/- 0.60  83.579% * 35.1030% (0.28  1.00   2.86  45.74) =  92.292%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.55 +/- 0.74   3.276% * 49.9212% (0.57 10.00   0.20   0.02) =   5.145%  kept
        T QE    LYS+ 112 - QE    PHE   95   7.68 +/- 2.00   7.049% *  6.0670% (0.69 10.00   0.02   0.02) =   1.345%  kept
          HB3   PHE   45 - QE    PHE   95   7.04 +/- 1.17   5.496% *  7.0173% (0.69  1.00   0.23   1.89) =   1.213%  kept
          HG3   MET   96 - QE    PHE   95   9.68 +/- 0.89   0.558% *  0.1748% (0.20  1.00   0.02  11.99) =   0.003%
          HB3   ASP-  86 - QE    PHE   95  15.73 +/- 0.55   0.034% *  0.8355% (0.95  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   95  19.88 +/- 1.00   0.009% *  0.8813% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.557, support = 0.493, residual support = 0.578:
          QG1   ILE   56 - QE    PHE   95   3.88 +/- 1.75  64.627% * 31.9389% (0.53   0.50   0.63) =  91.739%  kept
          QD    LYS+ 106 - QE    PHE   95   9.04 +/- 0.87   2.626% * 56.4050% (1.00   0.47   0.02) =   6.583%  kept
          HG3   PRO   93 - QE    PHE   95   4.97 +/- 1.13  24.637% *  0.9056% (0.38   0.02   0.02) =   0.992%  kept
          HB3   MET   92 - QE    PHE   95   6.63 +/- 1.61   7.046% *  1.9320% (0.80   0.02   0.02) =   0.605%  kept
          HB2   LEU   73 - QE    PHE   95  10.05 +/- 0.95   0.453% *  2.2273% (0.92   0.02   0.02) =   0.045%
          HD2   LYS+ 111 - QE    PHE   95  10.72 +/- 1.00   0.171% *  1.6574% (0.69   0.02   0.02) =   0.013%
          QD    LYS+  99 - QE    PHE   95  14.29 +/- 1.37   0.099% *  2.4128% (1.00   0.02   0.02) =   0.011%
          HB3   LYS+  99 - QE    PHE   95  14.38 +/- 1.60   0.165% *  0.9919% (0.41   0.02   0.02) =   0.007%
          HB2   LEU  123 - QE    PHE   95  13.35 +/- 1.16   0.070% *  0.9919% (0.41   0.02   0.02) =   0.003%
          QD    LYS+ 102 - QE    PHE   95  16.23 +/- 1.95   0.106% *  0.5372% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.52 A violated in 0 structures by 0.03 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.682, support = 2.6, residual support = 45.3:
          QG2   VAL  107 - QE    PHE   95   3.33 +/- 0.69  92.356% * 73.8461% (0.69  1.00   2.61  45.74) =  98.514%  kept
          QG2   THR   94 - QE    PHE   95   5.99 +/- 0.30   4.342% * 23.3850% (0.34  1.00   1.67  14.33) =   1.467%  kept
          HB3   LYS+ 112 - QE    PHE   95   9.34 +/- 2.10   2.811% *  0.3089% (0.38  1.00   0.02   0.02) =   0.013%
        T QB    ALA   20 - QE    PHE   95  10.86 +/- 1.06   0.170% *  1.2699% (0.15 10.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - QE    PHE   95  11.92 +/- 1.37   0.243% *  0.8212% (1.00  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QE    PHE   95  12.73 +/- 1.40   0.078% *  0.3690% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.966, support = 1.33, residual support = 3.6:
          QD1   LEU   63 - QE    PHE   95   3.72 +/- 1.08  66.627% * 51.3849% (1.00  1.00   1.44   4.03) =  82.405%  kept
          QD2   LEU  115 - QE    PHE   95   5.29 +/- 1.69  27.040% * 23.1966% (0.87  1.00   0.75   1.19) =  15.097%  kept
          QD2   LEU   63 - QE    PHE   95   5.70 +/- 1.22   5.650% * 18.1769% (0.53  1.00   0.97   4.03) =   2.472%  kept
        T QD2   LEU   80 - QE    PHE   95  11.07 +/- 1.04   0.119% *  5.9564% (0.84 10.00   0.02   0.02) =   0.017%
          QD1   LEU   73 - QE    PHE   95   9.13 +/- 0.70   0.396% *  0.7115% (1.00  1.00   0.02   0.02) =   0.007%
          QD1   LEU  104 - QE    PHE   95  11.32 +/- 1.34   0.122% *  0.4325% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   95  13.07 +/- 1.00   0.044% *  0.1411% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.344, support = 0.544, residual support = 1.18:
        T QD1   LEU  115 - QE    PHE   95   4.38 +/- 1.35  80.860% * 94.1113% (0.34 10.00   0.55   1.19) =  98.803%  kept
          QB    ALA   64 - QE    PHE   95   6.93 +/- 1.37  16.095% *  5.6895% (0.57  1.00   0.20   0.02) =   1.189%  kept
          QG1   VAL   75 - QE    PHE   95   7.97 +/- 0.90   3.045% *  0.1992% (0.20  1.00   0.02   0.02) =   0.008%
    Distance limit 4.20 A violated in 4 structures by 0.26 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.12, residual support = 72.0:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.098% * 99.6209% (0.84  10.0   1.12  72.03) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   5.07 +/- 0.50   0.901% *  0.0329% (0.15   1.0   0.02  12.13) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  15.30 +/- 1.29   0.001% *  0.1913% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  16.53 +/- 1.14   0.001% *  0.1549% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.78, residual support = 72.0:
      O T HB3   PHE   60 - QD    PHE   60   2.62 +/- 0.17  99.808% * 99.7227% (0.73  10.0 10.00   3.78  72.03) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.12 +/- 0.83   0.153% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.65 +/- 1.03   0.009% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  11.29 +/- 1.34   0.019% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  12.75 +/- 0.92   0.008% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.87 +/- 1.16   0.002% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.84 +/- 1.67   0.001% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.07, residual support = 3.38:
          QD1   ILE   56 - QD    PHE   60   5.27 +/- 1.73  84.418% * 43.1763% (0.99  1.00   0.99   4.01) =  83.499%  kept
          QD2   LEU   73 - QD    PHE   60   8.39 +/- 1.04  13.272% * 54.0656% (0.84  1.00   1.47   0.18) =  16.439%  kept
        T QG1   VAL   41 - QD    PHE   60  12.13 +/- 1.19   1.424% *  1.5457% (0.18 10.00   0.02   0.02) =   0.050%
          HG    LEU   31 - QD    PHE   60  14.58 +/- 1.38   0.503% *  0.6063% (0.69  1.00   0.02   0.02) =   0.007%
          HG3   LYS+ 121 - QD    PHE   60  14.67 +/- 1.18   0.383% *  0.6063% (0.69  1.00   0.02   0.02) =   0.005%
    Distance limit 3.79 A violated in 13 structures by 1.56 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.77, residual support = 2.94:
          QB    ALA   64 - QD    PHE   60   3.87 +/- 0.72 100.000% *100.0000% (0.95   1.77   2.94) = 100.000%  kept
    Distance limit 3.73 A violated in 3 structures by 0.35 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.11, residual support = 62.7:
          HN    PHE   97 - QD    PHE   97   2.97 +/- 0.55  99.892% * 99.3295% (0.97   4.11  62.72) = 100.000%  kept
          HN    LEU  115 - QD    PHE   97  10.58 +/- 1.14   0.090% *  0.4836% (0.97   0.02   0.02) =   0.000%
          HN    ASP- 113 - QD    PHE   97  13.54 +/- 1.46   0.017% *  0.0992% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  22.70 +/- 2.00   0.001% *  0.0878% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 141 (3.70, 7.13, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.666, support = 0.0199, residual support = 0.0199:
          HA    THR  118 - QD    PHE   97   6.97 +/- 2.92  52.026% * 16.5844% (0.61   0.02   0.02) =  48.521%  kept
          HA    ILE  119 - QD    PHE   97   7.46 +/- 3.15  38.446% * 20.8964% (0.76   0.02   0.02) =  45.178%  kept
          HA    VAL   75 - QD    PHE   97  12.72 +/- 0.83   2.852% * 14.3858% (0.53   0.02   0.02) =   2.307%  kept
          HA    ALA   84 - QD    PHE   97  12.92 +/- 0.65   2.951% * 13.3093% (0.49   0.02   0.02) =   2.209%  kept
          HA2   GLY  109 - QD    PHE   97  13.04 +/- 0.68   2.477% *  8.4394% (0.31   0.02   0.02) =   1.175%  kept
          HD3   PRO   58 - QD    PHE   97  13.30 +/- 1.64   1.127% *  7.6024% (0.28   0.02   0.02) =   0.482%
          HB2   TRP   49 - QD    PHE   97  20.80 +/- 0.67   0.120% * 18.7822% (0.69   0.02   0.02) =   0.127%
    Distance limit 4.06 A violated in 15 structures by 1.85 A, eliminated.
    Peak unassigned.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 62.7:
      O T HB2   PHE   97 - QD    PHE   97   2.51 +/- 0.14  97.144% * 99.6874% (0.90  10.0 10.00   2.44  62.72) =  99.997%  kept
          QE    LYS+ 106 - QD    PHE   97   6.00 +/- 1.07   2.134% *  0.1051% (0.95   1.0  1.00   0.02   8.77) =   0.002%
          QE    LYS+  99 - QD    PHE   97   6.55 +/- 1.11   0.685% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97  10.29 +/- 1.42   0.030% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  12.69 +/- 0.84   0.007% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.7:
      O T HB3   PHE   97 - QD    PHE   97   2.43 +/- 0.20  99.976% * 99.7112% (1.00  10.0 10.00   2.74  62.72) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  11.37 +/- 0.90   0.011% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.37 +/- 0.98   0.007% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  13.66 +/- 1.59   0.004% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  16.62 +/- 0.97   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.829, support = 0.976, residual support = 2.44:
          QG1   VAL  107 - QD    PHE   97   5.33 +/- 0.84  86.277% * 85.1519% (0.84   0.99   2.48) =  98.467%  kept
          HG13  ILE  119 - QD    PHE   97   8.39 +/- 2.83  11.338% *  9.8322% (0.41   0.23   0.02) =   1.494%  kept
          HB3   LEU   31 - QD    PHE   97  10.97 +/- 0.76   1.800% *  0.9260% (0.45   0.02   0.02) =   0.022%
          QG1   VAL   24 - QD    PHE   97  14.72 +/- 0.92   0.328% *  2.0654% (1.00   0.02   0.02) =   0.009%
          HD3   LYS+ 112 - QD    PHE   97  14.82 +/- 1.65   0.257% *  2.0245% (0.98   0.02   0.02) =   0.007%
    Distance limit 3.81 A violated in 14 structures by 1.41 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.27, residual support = 16.9:
          HB2   LEU  104 - QD    PHE   97   4.19 +/- 0.77  87.815% * 89.0062% (0.69   3.30  17.06) =  99.151%  kept
          QG2   VAL  108 - QD    PHE   97   7.22 +/- 0.64   6.420% *  9.7741% (0.53   0.47   0.02) =   0.796%  kept
          QD1   ILE  119 - QD    PHE   97   7.99 +/- 1.85   5.325% *  0.7432% (0.95   0.02   0.02) =   0.050%
          HB    VAL   75 - QD    PHE   97  10.94 +/- 1.18   0.440% *  0.4765% (0.61   0.02   0.02) =   0.003%
    Distance limit 3.96 A violated in 4 structures by 0.35 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.276, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD    PHE   97   4.18 +/- 1.29  41.054% * 63.2846% (0.34   0.02   0.02) =  54.555%  kept
          QG2   THR  118 - QD    PHE   97   4.38 +/- 2.70  58.946% * 36.7154% (0.20   0.02   0.02) =  45.445%  kept
    Distance limit 4.10 A violated in 1 structures by 0.09 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.989, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.45 +/- 1.36  92.748% * 85.0969% (1.00   0.02   0.02) =  98.649%  kept
          QB    ALA   47 - QD    PHE   97  13.46 +/- 0.48   7.252% * 14.9031% (0.18   0.02   0.02) =   1.351%  kept
    Distance limit 4.42 A violated in 20 structures by 3.91 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.89, residual support = 28.8:
          HN    LEU  115 - QD    PHE   59   5.48 +/- 0.83  89.812% * 99.0515% (0.97   2.90  28.77) =  99.965%  kept
          HN    PHE   97 - QD    PHE   59  10.46 +/- 2.20   3.091% *  0.6841% (0.97   0.02   0.02) =   0.024%
          HN    ASP- 113 - QD    PHE   59   8.52 +/- 0.63   7.087% *  0.1403% (0.20   0.02   0.02) =   0.011%
          HN    ALA   12 - QD    PHE   59  26.07 +/- 1.71   0.010% *  0.1241% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 10 structures by 0.90 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 3.01, residual support = 58.3:
          HA    PHE   59 - QD    PHE   59   2.87 +/- 0.59  93.778% * 78.1215% (0.61   3.04  58.85) =  98.475%  kept
          HA    ILE   56 - QD    PHE   59   5.50 +/- 0.97   5.875% * 19.2643% (0.61   0.75  20.66) =   1.521%  kept
          HA    ASP- 113 - QD    PHE   59   8.47 +/- 0.50   0.255% *  0.8451% (1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - QD    PHE   59  10.15 +/- 1.11   0.079% *  0.4123% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.66 +/- 2.33   0.007% *  0.6782% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  20.83 +/- 2.14   0.001% *  0.5479% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  16.96 +/- 2.11   0.004% *  0.1307% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 2.18, residual support = 18.4:
        T HA    ILE  119 - QD    PHE   59   4.71 +/- 0.51  85.852% * 57.8163% (1.00 10.00   2.25  19.23) =  90.101%  kept
        T HA    THR  118 - QD    PHE   59   6.63 +/- 0.72  12.975% * 42.0254% (0.95 10.00   1.53  10.92) =   9.898%  kept
          HA2   GLY  109 - QD    PHE   59  10.57 +/- 1.16   0.881% *  0.0398% (0.69  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QD    PHE   59  15.87 +/- 1.69   0.072% *  0.0503% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD    PHE   59  16.05 +/- 1.11   0.063% *  0.0568% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  14.03 +/- 1.60   0.156% *  0.0115% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 2 structures by 0.27 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.74, residual support = 58.8:
      O   HB2   PHE   59 - QD    PHE   59   2.43 +/- 0.12  99.607% * 99.6982% (0.97  10.0   2.74  58.85) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.48 +/- 0.95   0.181% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   CYSS  53 - QD    PHE   59   8.14 +/- 1.27   0.117% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59   8.98 +/- 1.14   0.064% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.57 +/- 1.46   0.014% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  12.23 +/- 1.82   0.017% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.17, residual support = 58.8:
      O   HB3   PHE   59 - QD    PHE   59   2.48 +/- 0.19  99.999% * 99.9680% (0.97  10.0   3.17  58.85) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.70 +/- 1.01   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.934, support = 2.81, residual support = 34.0:
          HB2   PRO   58 - QD    PHE   59   5.51 +/- 0.75  67.557% * 67.7960% (0.99   2.95  40.67) =  83.392%  kept
          HB2   GLN  116 - QD    PHE   59   6.56 +/- 0.59  28.929% * 31.4865% (0.65   2.10   0.33) =  16.585%  kept
          HB3   PHE   97 - QD    PHE   59  10.32 +/- 2.27   3.460% *  0.3708% (0.80   0.02   0.02) =   0.023%
          HB2   GLU- 100 - QD    PHE   59  19.88 +/- 2.48   0.043% *  0.2436% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  24.95 +/- 1.72   0.010% *  0.1031% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 13 structures by 0.93 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.7:
        T QG1   ILE   56 - QD    PHE   59   3.42 +/- 0.59  99.489% * 99.7160% (0.97 10.00   1.97  20.66) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59   9.97 +/- 1.73   0.350% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  14.87 +/- 2.34   0.034% *  0.1044% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  14.57 +/- 1.64   0.031% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  14.34 +/- 1.86   0.034% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  13.44 +/- 1.70   0.062% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (1.44, 7.19, 131.79 ppm):
    13 chemical-shift based assignments, quality = 0.518, support = 2.49, residual support = 28.8:
          HB3   LEU  115 - QD    PHE   59   3.31 +/- 1.11  44.343% * 71.3184% (0.65   2.31  28.77) =  73.827%  kept
          HG    LEU  115 - QD    PHE   59   3.33 +/- 1.10  51.034% * 21.9274% (0.15   2.98  28.77) =  26.124%  kept
          QB    ALA   61 - QD    PHE   59   6.29 +/- 0.39   1.493% *  0.6546% (0.69   0.02   0.63) =   0.023%
          QG    LYS+  66 - QD    PHE   59   7.91 +/- 0.91   0.500% *  0.9196% (0.97   0.02   0.02) =   0.011%
          QB    ALA  110 - QD    PHE   59   7.46 +/- 1.56   0.608% *  0.4272% (0.45   0.02   0.02) =   0.006%
          QB    ALA  120 - QD    PHE   59   6.92 +/- 0.55   1.749% *  0.1470% (0.15   0.02   0.02) =   0.006%
          HG    LEU   67 - QD    PHE   59  11.23 +/- 2.23   0.122% *  0.5014% (0.53   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD    PHE   59  11.05 +/- 1.54   0.061% *  0.7960% (0.84   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   59  13.72 +/- 2.17   0.034% *  0.9508% (1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   59  12.60 +/- 2.27   0.035% *  0.6165% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  14.74 +/- 1.89   0.014% *  0.3576% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  18.85 +/- 2.64   0.002% *  0.9196% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  17.30 +/- 1.91   0.004% *  0.4638% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (1.10, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 2.43, residual support = 15.2:
        T HG13  ILE  119 - QD    PHE   59   3.15 +/- 0.64  64.115% * 63.7844% (0.41 10.00   2.98  19.23) =  77.300%  kept
        T QG1   VAL  107 - QD    PHE   59   4.09 +/- 1.66  33.500% * 35.8389% (0.84 10.00   0.55   1.63) =  22.694%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.66 +/- 1.90   2.381% *  0.1521% (0.98  1.00   0.02   0.02) =   0.007%
          QG1   VAL   24 - QD    PHE   59  17.72 +/- 1.80   0.002% *  0.1552% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  18.19 +/- 2.19   0.002% *  0.0696% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.885, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.28 +/- 1.25  66.334% * 60.0043% (0.98   0.02   0.02) =  84.790%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.26 +/- 0.82  23.681% * 22.9752% (0.38   0.02   0.02) =  11.590%  kept
          HB3   LEU  104 - QD    PHE   59  12.36 +/- 2.47   9.985% * 17.0205% (0.28   0.02   0.02) =   3.620%  kept
    Distance limit 4.43 A violated in 19 structures by 3.23 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 4.38, residual support = 25.0:
          QD2   LEU  115 - QD    PHE   59   2.89 +/- 0.91  56.526% * 80.6334% (0.98   4.88  28.77) =  86.521%  kept
          QD1   LEU   63 - QD    PHE   59   3.26 +/- 1.20  38.921% * 18.2299% (0.92   1.17   0.77) =  13.469%  kept
          QD2   LEU   63 - QD    PHE   59   4.94 +/- 1.21   4.517% *  0.1150% (0.34   0.02   0.77) =   0.010%
          QD1   LEU  104 - QD    PHE   59  11.26 +/- 2.26   0.018% *  0.2700% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  11.60 +/- 1.73   0.013% *  0.3113% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  14.61 +/- 1.43   0.003% *  0.3254% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  16.55 +/- 1.60   0.002% *  0.1150% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.5, residual support = 28.8:
        T QD1   LEU  115 - QD    PHE   59   3.32 +/- 0.60  98.013% * 99.9042% (0.84 10.00   4.50  28.77) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   7.03 +/- 0.97   1.898% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  11.64 +/- 1.45   0.089% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 1.5, residual support = 28.7:
        T HA    LEU  115 - QE    PHE   59   3.39 +/- 0.74  97.266% * 91.8426% (0.73 10.00   1.50  28.77) =  99.867%  kept
          HA    GLU- 114 - QE    PHE   59   7.04 +/- 0.87   1.636% *  7.2317% (1.00  1.00   0.86   0.02) =   0.132%
        T HA    ARG+  54 - QE    PHE   59  11.20 +/- 1.62   0.231% *  0.3337% (0.20 10.00   0.02   0.02) =   0.001%
          HA    CYSS  53 - QE    PHE   59   8.85 +/- 1.83   0.836% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  17.69 +/- 3.66   0.010% *  0.1653% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  17.24 +/- 2.78   0.011% *  0.1463% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  18.25 +/- 3.11   0.007% *  0.1158% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  20.39 +/- 2.68   0.003% *  0.1350% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.81, residual support = 10.9:
        T HB    THR  118 - QE    PHE   59   2.92 +/- 1.13  99.951% * 99.7378% (0.95 10.00   1.81  10.92) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  13.14 +/- 2.36   0.028% *  0.0708% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  16.06 +/- 2.64   0.012% *  0.0523% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  19.32 +/- 2.59   0.004% *  0.0708% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  20.58 +/- 1.68   0.003% *  0.0480% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  21.58 +/- 2.58   0.002% *  0.0204% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 2 structures by 0.18 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 0.725, residual support = 1.65:
          HB    VAL  107 - QE    PHE   59   4.50 +/- 2.56  73.871% * 68.9514% (0.80   0.75   1.63) =  93.913%  kept
          QE    LYS+ 112 - QE    PHE   59   7.46 +/- 2.12  18.042% * 12.5527% (1.00   0.11   0.02) =   4.176%  kept
          HB3   ASP-  62 - QE    PHE   59   6.12 +/- 0.51   7.800% * 13.2100% (0.14   0.85   6.51) =   1.900%  kept
          HB3   PHE   45 - QE    PHE   59  11.33 +/- 2.59   0.269% *  2.2912% (1.00   0.02   0.02) =   0.011%
          HB3   ASP-  86 - QE    PHE   59  18.64 +/- 2.96   0.009% *  1.0295% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  22.44 +/- 3.02   0.003% *  1.3928% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  19.81 +/- 2.75   0.006% *  0.5726% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 4.05, residual support = 19.2:
          HG12  ILE  119 - QE    PHE   59   2.83 +/- 0.87  98.956% * 96.0601% (0.73   4.05  19.23) =  99.995%  kept
          HB2   ASP-  44 - QE    PHE   59   8.30 +/- 2.89   0.520% *  0.6477% (0.99   0.02   0.02) =   0.004%
          HG3   MET   92 - QE    PHE   59  11.42 +/- 2.88   0.413% *  0.1629% (0.25   0.02   0.02) =   0.001%
          HB3   PHE   72 - QE    PHE   59  10.17 +/- 2.29   0.086% *  0.6520% (1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   59  14.14 +/- 2.09   0.014% *  0.6405% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  15.48 +/- 1.72   0.007% *  0.6181% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  18.13 +/- 1.94   0.002% *  0.6520% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  20.84 +/- 2.74   0.001% *  0.2229% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  25.01 +/- 2.03   0.000% *  0.3438% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.628, support = 2.69, residual support = 10.7:
          HG13  ILE  119 - QE    PHE   59   3.75 +/- 0.73  22.471% * 75.9240% (0.73   3.78  19.23) =  51.418%  kept
          QG1   VAL  107 - QE    PHE   59   3.27 +/- 2.09  71.468% * 22.5112% (0.53   1.55   1.63) =  48.486%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.77 +/- 2.46   6.043% *  0.5236% (0.95   0.02   0.02) =   0.095%
          QB    ALA   20 - QE    PHE   59  13.63 +/- 1.80   0.012% *  0.1380% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   24 - QE    PHE   59  17.36 +/- 2.68   0.003% *  0.4802% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  17.16 +/- 3.19   0.003% *  0.4230% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.755, support = 2.19, residual support = 19.6:
        T QD2   LEU  115 - QE    PHE   59   3.97 +/- 1.18  32.969% * 79.2916% (0.87 10.00   2.88  28.77) =  67.119%  kept
        T QD1   LEU   63 - QE    PHE   59   3.28 +/- 1.69  66.880% * 19.1476% (0.53 10.00   0.80   0.77) =  32.879%  kept
        T QD1   LEU  104 - QE    PHE   59  10.01 +/- 2.83   0.064% *  0.9121% (1.00 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QE    PHE   59  10.99 +/- 2.53   0.024% *  0.4809% (0.53 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  10.18 +/- 2.06   0.054% *  0.0160% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  14.35 +/- 2.22   0.006% *  0.0820% (0.90  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  16.05 +/- 2.48   0.004% *  0.0699% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.89, residual support = 27.8:
          QD1   LEU  115 - QE    PHE   59   4.63 +/- 0.65  88.777% * 76.8293% (0.45   2.96  28.77) =  96.645%  kept
          QB    ALA   64 - QE    PHE   59   7.67 +/- 1.39  10.352% * 22.8485% (0.45   0.88   0.02) =   3.351%  kept
          QG1   VAL   75 - QE    PHE   59  11.41 +/- 2.23   0.871% *  0.3223% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.38 A violated in 0 structures by 0.30 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.88, residual support = 10.9:
          QG2   THR  118 - QE    PHE   59   2.65 +/- 1.39 100.000% *100.0000% (0.80   3.88  10.92) = 100.000%  kept
    Distance limit 4.27 A violated in 3 structures by 0.24 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.12, residual support = 72.0:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  99.505% * 99.6751% (0.99  10.0   1.12  72.03) = 100.000%  kept
          QE    PHE   59 - QE    PHE   60   7.03 +/- 1.77   0.469% *  0.0500% (0.28   1.0   0.02  20.55) =   0.000%
          HN    LYS+  66 - QE    PHE   60   9.17 +/- 0.91   0.024% *  0.1375% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  15.66 +/- 1.52   0.001% *  0.1375% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 169 (2.26, 7.63, 131.92 ppm):
    10 chemical-shift based assignments, quality = 0.841, support = 1.6, residual support = 5.85:
          HB3   PHE   72 - QE    PHE   60   4.97 +/- 1.97  40.360% * 61.7310% (0.87   2.00   8.18) =  69.885%  kept
          HB2   ASP-  44 - QE    PHE   60   4.11 +/- 1.52  52.527% * 18.8324% (0.76   0.69   0.47) =  27.747%  kept
          HG12  ILE  119 - QE    PHE   60   9.52 +/- 2.19   5.051% * 16.5408% (0.98   0.47   0.02) =   2.343%  kept
          HG3   MET   92 - QE    PHE   60   9.82 +/- 3.19   1.740% *  0.4029% (0.57   0.02   0.02) =   0.020%
          QG    GLU-  15 - QE    PHE   60  12.11 +/- 2.28   0.139% *  0.4604% (0.65   0.02   0.02) =   0.002%
          QG    GLU-  14 - QE    PHE   60  13.36 +/- 2.38   0.094% *  0.5698% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   60  14.23 +/- 2.33   0.035% *  0.6569% (0.92   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   60  13.00 +/- 2.06   0.042% *  0.1584% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  15.97 +/- 1.19   0.012% *  0.4888% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  21.40 +/- 2.07   0.003% *  0.1584% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.978, support = 0.531, residual support = 0.589:
          HB    VAL   42 - QE    PHE   60   7.82 +/- 1.95  19.602% * 44.2240% (1.00  1.00   0.63   0.79) =  70.701%  kept
          HB3   LEU   73 - QE    PHE   60   8.30 +/- 1.48   6.712% * 27.7926% (0.98  1.00   0.40   0.18) =  15.213%  kept
          HG3   LYS+  65 - QE    PHE   60   8.99 +/- 1.47   9.046% * 16.1002% (1.00  1.00   0.23   0.02) =  11.879%  kept
          HB3   PRO   93 - QE    PHE   60   7.13 +/- 2.68  34.869% *  0.3938% (0.28  1.00   0.02   0.02) =   1.120%  kept
          HB3   LYS+  74 - QE    PHE   60   6.66 +/- 1.05  27.375% *  0.3531% (0.25  1.00   0.02   0.02) =   0.788%  kept
        T QB    ALA   84 - QE    PHE   60  11.52 +/- 1.44   0.603% *  3.5313% (0.25 10.00   0.02   0.02) =   0.174%
          QB    LEU   98 - QE    PHE   60  12.64 +/- 1.75   0.488% *  0.6893% (0.49  1.00   0.02   0.02) =   0.027%
          HG3   LYS+  33 - QE    PHE   60  15.25 +/- 1.72   0.218% *  1.4131% (1.00  1.00   0.02   0.02) =   0.025%
          HG3   LYS+ 106 - QE    PHE   60  13.67 +/- 2.07   0.250% *  1.1829% (0.84  1.00   0.02   0.02) =   0.024%
          HB2   LYS+ 112 - QE    PHE   60  14.09 +/- 1.97   0.214% *  1.3073% (0.92  1.00   0.02   0.02) =   0.023%
          QB    ALA   12 - QE    PHE   60  17.17 +/- 1.90   0.141% *  1.0823% (0.76  1.00   0.02   0.02) =   0.012%
          HG    LEU   98 - QE    PHE   60  13.29 +/- 1.96   0.325% *  0.2480% (0.18  1.00   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - QE    PHE   60  15.25 +/- 1.99   0.129% *  0.3153% (0.22  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - QE    PHE   60  20.02 +/- 1.96   0.028% *  1.3667% (0.97  1.00   0.02   0.02) =   0.003%
    Distance limit 4.62 A violated in 8 structures by 0.54 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.198, support = 0.987, residual support = 4.01:
        T QD1   ILE   56 - QE    PHE   60   6.70 +/- 2.06  94.286% * 98.3396% (0.20 10.00   0.99   4.01) =  99.945%  kept
          QD2   LEU  123 - QE    PHE   60  12.53 +/- 1.94   4.618% *  0.9294% (0.92  1.00   0.02   0.02) =   0.046%
          HG3   LYS+ 121 - QE    PHE   60  15.59 +/- 1.89   1.097% *  0.7311% (0.73  1.00   0.02   0.02) =   0.009%
    Distance limit 4.83 A violated in 14 structures by 2.11 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.784, support = 1.22, residual support = 2.72:
          QB    ALA   64 - QE    PHE   60   4.34 +/- 1.24  62.832% * 80.0266% (0.84   1.27   2.94) =  89.708%  kept
          QG1   VAL   42 - QE    PHE   60   5.10 +/- 1.69  29.629% * 19.2970% (0.34   0.75   0.79) =  10.201%  kept
          QB    ALA   47 - QE    PHE   60   8.63 +/- 1.71   7.539% *  0.6763% (0.45   0.02   0.02) =   0.091%
    Distance limit 4.43 A violated in 2 structures by 0.22 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.795, support = 1.84, residual support = 5.29:
          HB3   PHE   72 - QD    PHE   60   5.88 +/- 1.21  27.862% * 72.3791% (0.76   2.58   8.18) =  62.526%  kept
          HB2   ASP-  44 - QD    PHE   60   4.94 +/- 1.04  61.118% * 18.9684% (0.87   0.60   0.47) =  35.945%  kept
          HG12  ILE  119 - QD    PHE   60   8.03 +/- 1.47   8.210% *  5.9291% (0.34   0.47   0.02) =   1.509%  kept
          HG2   MET   92 - QD    PHE   60  10.02 +/- 1.90   2.284% *  0.1284% (0.18   0.02   0.02) =   0.009%
          QG    GLU-  15 - QD    PHE   60  12.64 +/- 1.58   0.268% *  0.6934% (0.95   0.02   0.02) =   0.006%
          QG    GLU-  14 - QD    PHE   60  14.20 +/- 1.59   0.127% *  0.6123% (0.84   0.02   0.02) =   0.002%
          QG    GLN   90 - QD    PHE   60  14.52 +/- 1.41   0.114% *  0.5035% (0.69   0.02   0.02) =   0.002%
          QB    MET   11 - QD    PHE   60  22.10 +/- 1.52   0.008% *  0.6574% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  21.39 +/- 1.71   0.009% *  0.1284% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.10 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.91, residual support = 89.6:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.995% * 99.8968% (0.87  10.0   2.91  89.61) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  13.29 +/- 0.51   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.41 +/- 0.93   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.747, support = 3.2, residual support = 7.9:
          QD    PHE   60 - QD    PHE   72   4.72 +/- 1.68  73.821% * 89.1716% (0.76   3.28   8.18) =  96.380%  kept
          HN    LYS+  66 - QD    PHE   72   6.53 +/- 1.27  25.198% *  9.8056% (0.28   0.99   0.26) =   3.618%  kept
          HE3   TRP   27 - QD    PHE   72   9.36 +/- 0.62   0.914% *  0.1773% (0.25   0.02   0.02) =   0.002%
          HN    LYS+  81 - QD    PHE   72  18.11 +/- 0.55   0.017% *  0.7048% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.92 +/- 0.81   0.049% *  0.1407% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 3 structures by 0.29 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.323, support = 1.65, residual support = 10.3:
          QE    PHE   60 - QD    PHE   72   4.38 +/- 2.33  78.518% * 42.6125% (0.18   2.00   8.18) =  76.391%  kept
          HN    LEU   63 - QD    PHE   72   6.58 +/- 0.64  20.542% * 50.2651% (0.80   0.52  17.12) =  23.574%  kept
          HZ2   TRP   87 - QD    PHE   72  13.64 +/- 0.84   0.341% *  1.7669% (0.73   0.02   0.02) =   0.014%
          HD21  ASN   28 - QD    PHE   72  14.25 +/- 0.76   0.218% *  2.1822% (0.90   0.02   0.02) =   0.011%
          HN    ILE   56 - QD    PHE   72  13.66 +/- 0.95   0.179% *  1.6714% (0.69   0.02   0.02) =   0.007%
          HN    LYS+ 111 - QD    PHE   72  15.57 +/- 1.59   0.122% *  0.7510% (0.31   0.02   0.02) =   0.002%
          HN    ALA   84 - QD    PHE   72  16.66 +/- 0.67   0.079% *  0.7510% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 5 structures by 0.45 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.44, residual support = 89.6:
          HN    PHE   72 - QD    PHE   72   2.72 +/- 0.40  99.974% * 99.8177% (0.98   5.44  89.61) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.71 +/- 0.84   0.026% *  0.1823% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.73, support = 1.84, residual support = 89.6:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.190% * 52.6465% (0.76  10.0 10.00   1.00  89.61) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.805% * 47.3200% (0.69  10.0 10.00   2.91  89.61) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  10.56 +/- 1.18   0.005% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.673, support = 0.989, residual support = 6.7:
          QD    PHE   60 - QE    PHE   72   5.04 +/- 1.97  58.132% * 73.6042% (0.76   1.01   8.18) =  81.277%  kept
          HN    LYS+  66 - QE    PHE   72   4.80 +/- 1.02  41.663% * 23.6558% (0.28   0.89   0.26) =  18.721%  kept
          HE3   TRP   27 - QE    PHE   72  11.24 +/- 0.69   0.164% *  0.4750% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QE    PHE   72  14.52 +/- 1.05   0.036% *  0.3770% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   72  19.84 +/- 0.77   0.006% *  1.8881% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.11 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 89.6:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  89.61) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.34 +/- 1.33   0.000% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  17.92 +/- 0.68   0.000% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.45, residual support = 89.6:
          HA    PHE   72 - QD    PHE   72   2.66 +/- 0.51  99.944% * 99.8293% (0.90   4.45  89.61) = 100.000%  kept
          HA    MET   96 - QD    PHE   72  10.05 +/- 0.75   0.056% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (4.83, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.343, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   9.91 +/- 0.93  82.743% *  9.9133% (0.22   0.02   0.02) =  69.542%  kept
          HA    THR   23 - QD    PHE   72  15.33 +/- 0.64   6.366% * 28.8048% (0.65   0.02   0.02) =  15.546%  kept
          HA    ASP-  78 - QD    PHE   72  18.19 +/- 0.61   2.214% * 41.1037% (0.92   0.02   0.02) =   7.715%  kept
          HA    LEU   80 - QD    PHE   72  16.76 +/- 0.55   3.759% * 12.3802% (0.28   0.02   0.02) =   3.946%  kept
          HB    THR   23 - QD    PHE   72  16.07 +/- 0.77   4.919% *  7.7981% (0.18   0.02   0.02) =   3.252%  kept
    Distance limit 4.53 A violated in 20 structures by 5.05 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.633, support = 3.62, residual support = 58.1:
        T HA    ALA   64 - QD    PHE   72   3.46 +/- 0.82  24.308% * 82.2895% (0.92   1.0 10.00   3.12  37.09) =  59.982%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.55 +/- 0.13  75.646% * 17.6413% (0.20  10.0 10.00   4.37  89.61) =  40.018%  kept
          QE    LYS+  66 - QD    PHE   72   9.42 +/- 1.59   0.043% *  0.0222% (0.25   1.0  1.00   0.02   0.26) =   0.000%
          HB3   ASN   35 - QD    PHE   72  14.00 +/- 0.48   0.003% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.61, residual support = 89.6:
      O T HB3   PHE   72 - QD    PHE   72   2.45 +/- 0.18  97.966% * 99.4111% (0.98  10.0 10.00   4.61  89.61) =  99.998%  kept
          HB2   ASP-  44 - QD    PHE   72   5.44 +/- 1.13   1.602% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QD    PHE   72   7.18 +/- 1.35   0.353% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72   9.72 +/- 1.49   0.048% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72  10.51 +/- 1.48   0.021% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  13.52 +/- 0.39   0.004% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  14.09 +/- 1.73   0.004% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  16.85 +/- 0.92   0.001% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.87 +/- 1.37   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.8, support = 0.973, residual support = 6.31:
        T HB    VAL   42 - QD    PHE   72   3.26 +/- 0.77  95.946% * 67.4382% (0.80 10.00   0.94   6.00) =  99.109%  kept
          HB3   LEU   73 - QD    PHE   72   6.93 +/- 0.26   1.905% * 30.3756% (0.73  1.00   4.67  40.11) =   0.886%  kept
          HB3   LYS+  74 - QD    PHE   72   8.14 +/- 0.83   0.823% *  0.1014% (0.57  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD    PHE   72   8.40 +/- 0.98   0.468% *  0.1435% (0.80  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   72   9.96 +/- 0.81   0.389% *  0.1554% (0.87  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    PHE   72   9.60 +/- 0.55   0.256% *  0.1497% (0.84  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD    PHE   72  13.29 +/- 1.51   0.114% *  0.1776% (0.99  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  17.21 +/- 2.08   0.012% *  1.0868% (0.61 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  12.98 +/- 0.74   0.038% *  0.0872% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  14.66 +/- 2.18   0.021% *  0.0943% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  14.90 +/- 0.92   0.019% *  0.0673% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.53 +/- 0.79   0.010% *  0.1231% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 1.5, residual support = 34.7:
        T QD1   LEU   67 - QD    PHE   72   3.46 +/- 1.28  87.478% * 97.5868% (0.41 10.00   1.50  34.71) =  99.955%  kept
        T QD1   ILE  119 - QD    PHE   72   8.71 +/- 1.30   1.457% *  1.6652% (0.53 10.00   0.02   0.02) =   0.028%
          QD2   LEU   40 - QD    PHE   72   6.49 +/- 1.13   7.288% *  0.1419% (0.45  1.00   0.02   0.02) =   0.012%
          HG3   LYS+  74 - QD    PHE   72   7.96 +/- 1.11   2.679% *  0.0705% (0.22  1.00   0.02   0.02) =   0.002%
          HB    VAL   75 - QD    PHE   72  10.26 +/- 0.59   0.389% *  0.3102% (0.98  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QD    PHE   72  10.90 +/- 0.95   0.314% *  0.0789% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    PHE   72  11.52 +/- 0.84   0.227% *  0.0977% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  12.12 +/- 0.90   0.169% *  0.0488% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 2 structures by 0.17 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.86, residual support = 40.1:
          QD2   LEU   73 - QD    PHE   72   4.69 +/- 0.26  84.038% * 99.0057% (0.95   5.86  40.11) =  99.979%  kept
          QD1   ILE   56 - QD    PHE   72   9.91 +/- 1.33   1.593% *  0.3539% (0.99   0.02   0.02) =   0.007%
          QG1   VAL   43 - QD    PHE   72   6.94 +/- 0.48   8.861% *  0.0551% (0.15   0.02   0.02) =   0.006%
          QG1   VAL   41 - QD    PHE   72   7.68 +/- 0.38   4.652% *  0.0993% (0.28   0.02   0.02) =   0.006%
          HG    LEU   31 - QD    PHE   72  10.57 +/- 0.79   0.728% *  0.2982% (0.84   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - QD    PHE   72  14.50 +/- 2.30   0.129% *  0.1878% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.18 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.94, residual support = 37.1:
        T QB    ALA   64 - QD    PHE   72   3.03 +/- 0.45  99.919% * 99.9781% (0.80 10.00   4.94  37.09) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72  10.57 +/- 0.97   0.081% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 1.84, residual support = 40.2:
        T QG2   VAL   70 - QD    PHE   72   3.09 +/- 0.76 100.000% *100.0000% (0.65 10.00   1.84  40.22) = 100.000%  kept
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 3.96, residual support = 37.1:
        T HA    ALA   64 - QE    PHE   72   2.48 +/- 0.38  99.060% * 89.9669% (0.38 10.00   3.97  37.09) =  99.897%  kept
          QE    LYS+  66 - QE    PHE   72   7.63 +/- 1.58   0.937% *  9.7955% (0.80  1.00   1.02   0.26) =   0.103%
          HB3   ASN   35 - QE    PHE   72  15.04 +/- 0.48   0.003% *  0.2376% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.95, residual support = 40.2:
        T HB    VAL   70 - QE    PHE   72   2.39 +/- 0.68  99.405% * 98.7668% (0.99 10.00   3.95  40.22) =  99.995%  kept
        T QG    GLN   17 - QE    PHE   72   7.47 +/- 0.85   0.490% *  0.9617% (0.97 10.00   0.02   0.02) =   0.005%
          HB2   MET   96 - QE    PHE   72  10.19 +/- 0.97   0.047% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  10.90 +/- 1.57   0.033% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  13.16 +/- 1.35   0.011% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.62 +/- 0.68   0.009% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.49 +/- 0.87   0.004% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  18.71 +/- 0.51   0.001% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.453, support = 3.09, residual support = 34.2:
        T HB2   LEU   67 - QE    PHE   72   3.27 +/- 1.02  82.756% * 86.2719% (0.45 10.00   3.11  34.71) =  98.649%  kept
          HG2   PRO   68 - QE    PHE   72   6.58 +/- 1.19   7.504% * 12.9666% (0.80  1.00   1.68   0.30) =   1.345%  kept
          HB    VAL   18 - QE    PHE   72   6.30 +/- 0.86   3.792% *  0.0428% (0.22  1.00   0.02   2.91) =   0.002%
          QB    GLU-  15 - QE    PHE   72   7.36 +/- 1.50   4.245% *  0.0337% (0.18  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - QE    PHE   72   8.38 +/- 0.54   0.594% *  0.1397% (0.73  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QE    PHE   72   8.26 +/- 0.70   1.004% *  0.0337% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  12.68 +/- 1.20   0.038% *  0.1607% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.88 +/- 0.92   0.036% *  0.1669% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  13.35 +/- 1.42   0.027% *  0.1245% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.25 +/- 0.56   0.004% *  0.0594% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 1 structures by 0.19 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.369, support = 3.04, residual support = 33.3:
          HB3   LEU   67 - QE    PHE   72   3.17 +/- 0.93  84.521% * 72.1356% (0.38   3.11  34.71) =  95.889%  kept
          QG    LYS+  66 - QE    PHE   72   6.22 +/- 1.39  13.233% * 19.6118% (0.22   1.43   0.26) =   4.082%  kept
          HG12  ILE   19 - QE    PHE   72   7.92 +/- 1.42   0.807% *  1.0311% (0.84   0.02   0.02) =   0.013%
          QB    ALA   61 - QE    PHE   72   6.78 +/- 0.71   1.101% *  0.6495% (0.53   0.02   0.02) =   0.011%
          QB    LEU   98 - QE    PHE   72   9.91 +/- 0.66   0.150% *  0.7986% (0.65   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QE    PHE   72  10.20 +/- 0.85   0.084% *  1.1071% (0.90   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QE    PHE   72  13.29 +/- 2.43   0.041% *  1.1396% (0.92   0.02   0.02) =   0.001%
          QB    ALA  110 - QE    PHE   72  13.21 +/- 1.72   0.027% *  0.9434% (0.76   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   72  14.07 +/- 1.82   0.024% *  0.4633% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  16.70 +/- 1.03   0.006% *  1.2236% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  15.96 +/- 0.87   0.008% *  0.8964% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.14, residual support = 34.7:
        T QD1   LEU   67 - QE    PHE   72   2.85 +/- 0.61  94.785% * 98.1791% (0.41 10.00   4.14  34.71) =  99.986%  kept
        T QD1   ILE  119 - QE    PHE   72   7.59 +/- 1.58   0.667% *  1.2564% (0.53 10.00   0.02   0.02) =   0.009%
          QD2   LEU   40 - QE    PHE   72   6.12 +/- 1.07   4.204% *  0.1071% (0.45  1.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - QE    PHE   72  10.05 +/- 1.25   0.121% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72   9.84 +/- 1.17   0.115% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QE    PHE   72  11.99 +/- 0.75   0.026% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  11.27 +/- 1.11   0.054% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  12.13 +/- 1.08   0.029% *  0.0368% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 196 (0.89, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.594, support = 4.31, residual support = 22.6:
          HB3   LEU   63 - QE    PHE   72   3.75 +/- 1.45  35.620% * 80.7602% (0.73   4.36  17.12) =  76.041%  kept
          QG1   VAL   70 - QE    PHE   72   3.02 +/- 0.71  49.007% * 18.4501% (0.18   4.13  40.22) =  23.901%  kept
          QD1   LEU   40 - QE    PHE   72   4.58 +/- 0.71   8.197% *  0.1573% (0.31   0.02   0.02) =   0.034%
          QG1   VAL   18 - QE    PHE   72   4.62 +/- 0.94   7.167% *  0.1271% (0.25   0.02   2.91) =   0.024%
          QG1   VAL  108 - QE    PHE   72  13.75 +/- 1.04   0.009% *  0.5052% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (0.58, 6.99, 130.46 ppm):
    7 chemical-shift based assignments, quality = 0.797, support = 3.69, residual support = 17.3:
          QD2   LEU   63 - QE    PHE   72   3.17 +/- 0.82  70.299% * 27.9054% (0.69   3.65  17.12) =  62.577%  kept
          QD1   LEU   63 - QE    PHE   72   4.05 +/- 0.95  27.777% * 41.2172% (0.98   3.78  17.12) =  36.520%  kept
          QD1   LEU   73 - QE    PHE   72   7.27 +/- 0.81   0.927% * 30.4239% (0.98   2.79  40.11) =   0.900%  kept
          QD1   LEU  104 - QE    PHE   72   8.63 +/- 1.31   0.370% *  0.0998% (0.45   0.02   0.02) =   0.001%
          QD2   LEU  115 - QE    PHE   72   9.77 +/- 1.20   0.161% *  0.1617% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   41 - QE    PHE   72   7.90 +/- 0.45   0.443% *  0.0390% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  13.09 +/- 0.72   0.022% *  0.1530% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.681, support = 4.0, residual support = 36.2:
          QB    ALA   64 - QE    PHE   72   3.02 +/- 0.65  62.606% * 94.7203% (0.69   4.11  37.09) =  97.101%  kept
          QG1   VAL   42 - QE    PHE   72   3.41 +/- 0.68  37.351% *  4.7404% (0.49   0.29   6.00) =   2.899%  kept
          HG2   LYS+ 112 - QE    PHE   72  15.21 +/- 2.43   0.037% *  0.1327% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    PHE   72  13.97 +/- 1.03   0.006% *  0.4066% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.14, residual support = 40.2:
        T QG2   VAL   70 - QE    PHE   72   2.69 +/- 0.70 100.000% *100.0000% (0.90 10.00   5.14  40.22) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.645, support = 2.24, residual support = 37.0:
        T HA    ALA   64 - HZ    PHE   72   2.92 +/- 0.89  93.198% * 96.4877% (0.65 10.00   2.25  37.09) =  99.745%  kept
          QE    LYS+  66 - HZ    PHE   72   7.71 +/- 1.59   6.798% *  3.3877% (0.53  1.00   0.86   0.26) =   0.255%
          HB3   ASN   35 - HZ    PHE   72  17.82 +/- 0.58   0.004% *  0.1246% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 40.2:
        T HB    VAL   70 - HZ    PHE   72   3.78 +/- 0.82  98.965% * 98.2503% (0.92 10.00   3.30  40.22) =  99.991%  kept
        T QG    GLN   17 - HZ    PHE   72   9.27 +/- 0.76   0.767% *  1.0272% (0.97 10.00   0.02   0.02) =   0.008%
        T HB2   MET   96 - HZ    PHE   72  12.13 +/- 1.28   0.198% *  0.5600% (0.53 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HZ    PHE   72  15.97 +/- 1.02   0.031% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  15.33 +/- 1.65   0.035% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  22.08 +/- 0.59   0.004% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.10 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.455, support = 3.04, residual support = 34.1:
        T HB2   LEU   67 - HZ    PHE   72   3.60 +/- 1.39  77.530% * 92.0869% (0.45 10.00   3.08  34.71) =  98.102%  kept
          HG2   PRO   68 - HZ    PHE   72   6.93 +/- 1.90  19.431% *  7.1002% (0.80  1.00   0.86   0.30) =   1.896%  kept
          HB    VAL   18 - HZ    PHE   72   8.17 +/- 1.02   1.146% *  0.0457% (0.22  1.00   0.02   2.91) =   0.001%
          QB    GLU-  15 - HZ    PHE   72   9.12 +/- 1.68   1.282% *  0.0360% (0.18  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HZ    PHE   72  10.41 +/- 0.61   0.229% *  0.1492% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.23 +/- 0.76   0.294% *  0.0360% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  14.25 +/- 1.52   0.032% *  0.1716% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.74 +/- 1.22   0.027% *  0.1782% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  14.86 +/- 1.89   0.027% *  0.1329% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  22.69 +/- 0.65   0.002% *  0.0634% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.369, support = 2.99, residual support = 33.3:
          HB3   LEU   67 - HZ    PHE   72   3.91 +/- 1.11  78.001% * 78.0066% (0.38   3.08  34.71) =  95.966%  kept
          QG    LYS+  66 - HZ    PHE   72   6.24 +/- 1.11  19.554% * 12.9712% (0.22   0.86   0.26) =   4.000%  kept
          QB    ALA   61 - HZ    PHE   72   8.15 +/- 0.84   1.389% *  0.7101% (0.53   0.02   0.02) =   0.016%
          HG12  ILE   19 - HZ    PHE   72   9.92 +/- 1.59   0.605% *  1.1273% (0.84   0.02   0.02) =   0.011%
          QB    LEU   98 - HZ    PHE   72  11.73 +/- 0.76   0.167% *  0.8731% (0.65   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HZ    PHE   72  14.35 +/- 2.98   0.104% *  1.2458% (0.92   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HZ    PHE   72  12.56 +/- 0.89   0.106% *  1.2104% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - HZ    PHE   72  15.14 +/- 1.98   0.042% *  1.0314% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HZ    PHE   72  19.75 +/- 1.19   0.007% *  1.3377% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  18.94 +/- 1.03   0.009% *  0.9800% (0.73   0.02   0.02) =   0.000%
          QB    ALA   12 - HZ    PHE   72  16.51 +/- 2.05   0.016% *  0.5065% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.12 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.11, residual support = 34.7:
        T QD1   LEU   67 - HZ    PHE   72   3.23 +/- 0.66  97.284% * 96.1534% (0.41 10.00   4.11  34.71) =  99.988%  kept
        T QD1   ILE  119 - HZ    PHE   72   8.43 +/- 1.88   0.756% *  1.2305% (0.53 10.00   0.02   0.02) =   0.010%
          QD2   LEU   40 - HZ    PHE   72   7.41 +/- 0.89   1.694% *  0.1049% (0.45  1.00   0.02   0.02) =   0.002%
        T HB    VAL   75 - HZ    PHE   72  14.46 +/- 0.85   0.019% *  2.2925% (0.98 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HZ    PHE   72  11.38 +/- 1.43   0.114% *  0.0583% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  12.83 +/- 1.38   0.047% *  0.0722% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.21 +/- 1.20   0.060% *  0.0521% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  13.93 +/- 1.40   0.025% *  0.0361% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.18 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 2.88, residual support = 25.5:
        T HB3   LEU   63 - HZ    PHE   72   4.14 +/- 1.59  39.157% * 71.5017% (0.95 10.00   2.94  17.12) =  63.761%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.75 +/- 0.99  56.087% * 28.3684% (0.38 10.00   2.78  40.22) =  36.235%  kept
          QG1   VAL   18 - HZ    PHE   72   6.13 +/- 1.00   3.831% *  0.0368% (0.49  1.00   0.02   2.91) =   0.003%
          QD1   LEU   71 - HZ    PHE   72   8.61 +/- 0.89   0.620% *  0.0150% (0.20  1.00   0.02  19.54) =   0.000%
          QD1   LEU  123 - HZ    PHE   72   9.08 +/- 2.75   0.292% *  0.0150% (0.20  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  15.76 +/- 1.33   0.014% *  0.0631% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.05 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.746, support = 2.48, residual support = 17.3:
          QD2   LEU   63 - HZ    PHE   72   3.32 +/- 1.04  86.490% * 23.9042% (0.69   2.37  17.12) =  79.699%  kept
          QD1   LEU   63 - HZ    PHE   72   5.03 +/- 1.05  11.941% * 42.1566% (0.98   2.93  17.12) =  19.405%  kept
          QD1   LEU   73 - HZ    PHE   72   9.00 +/- 0.92   0.694% * 33.3423% (0.98   2.32  40.11) =   0.892%  kept
          QD1   LEU  104 - HZ    PHE   72   9.76 +/- 1.45   0.358% *  0.1314% (0.45   0.02   0.02) =   0.002%
          QD2   LEU  115 - HZ    PHE   72  10.88 +/- 1.41   0.142% *  0.2129% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   41 - HZ    PHE   72   9.69 +/- 0.50   0.354% *  0.0513% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  15.55 +/- 0.84   0.020% *  0.2014% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.05 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 40.2:
        T QG2   VAL   70 - HZ    PHE   72   4.04 +/- 0.59 100.000% *100.0000% (0.90 10.00   4.44  40.22) = 100.000%  kept
    Distance limit 4.55 A violated in 0 structures by 0.07 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.86, residual support = 70.4:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.86  70.42) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.4:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.999% * 99.9913% (0.98  10.0   1.00  70.42) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  19.60 +/- 1.31   0.001% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.969% * 99.8601% (0.98  10.0 10.00   1.00  70.42) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  10.36 +/- 1.09   0.031% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  23.24 +/- 1.52   0.000% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 70.4:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  96.726% * 99.5607% (0.99  10.0   1.00  70.42) =  99.993%  kept
          HD21  ASN   28 - HH2   TRP   87   5.57 +/- 1.24   3.271% *  0.1969% (0.98   1.0   0.02   0.02) =   0.007%
          QE    PHE   60 - HH2   TRP   87  15.37 +/- 1.89   0.003% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  20.78 +/- 0.93   0.000% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  23.06 +/- 1.34   0.000% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.4:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  99.300% * 99.7330% (0.90  10.0   1.00  70.42) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.91 +/- 0.53   0.697% *  0.0027% (0.01   1.0   0.02  20.66) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  22.32 +/- 2.16   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.33 +/- 1.66   0.002% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  21.89 +/- 1.50   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  23.06 +/- 1.34   0.000% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 6.06:
          HZ2   TRP   27 - HZ2   TRP   87   2.93 +/- 1.19  99.960% * 99.3931% (0.87   0.75   6.06) = 100.000%  kept
          HZ    PHE   72 - HZ2   TRP   87  17.89 +/- 1.23   0.009% *  0.4715% (0.15   0.02   0.02) =   0.000%
          HZ2   TRP   27 - HN    ILE   56  20.92 +/- 1.60   0.005% *  0.1150% (0.04   0.02   0.02) =   0.000%
          HZ    PHE   72 - HN    ILE   56  15.81 +/- 1.30   0.025% *  0.0205% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 3 structures by 0.19 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.572, support = 0.0199, residual support = 0.0199:
          HD21  ASN   35 - HZ3   TRP   87  10.97 +/- 1.22  63.442% * 11.6802% (0.53   0.02   0.02) =  60.874%  kept
          HN    THR   23 - HZ3   TRP   87  14.24 +/- 1.22  15.505% * 11.6802% (0.53   0.02   0.02) =  14.878%  kept
          QE    PHE   95 - HZ3   TRP   87  14.47 +/- 0.77  12.534% * 10.8062% (0.49   0.02   0.02) =  11.127%  kept
          HD2   HIS   22 - HZ3   TRP   87  17.10 +/- 1.17   5.106% * 20.4937% (0.92   0.02   0.02) =   8.597%  kept
          HN    LEU   67 - HZ3   TRP   87  21.13 +/- 1.10   1.312% * 19.9101% (0.90   0.02   0.02) =   2.146%  kept
          HD1   TRP   49 - HZ3   TRP   87  21.65 +/- 1.13   1.171% * 22.0041% (0.99   0.02   0.02) =   2.118%  kept
          QD    PHE   55 - HZ3   TRP   87  22.57 +/- 1.20   0.929% *  3.4254% (0.15   0.02   0.02) =   0.261%
    Distance limit 3.55 A violated in 20 structures by 6.57 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.73, residual support = 22.5:
          HN    ASP-  86 - HD1   TRP   87   4.29 +/- 0.18  99.718% * 97.7183% (0.38   3.73  22.51) =  99.998%  kept
          HN    GLU-  29 - HD1   TRP   87  13.31 +/- 0.75   0.124% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  13.00 +/- 0.69   0.145% *  0.4306% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - HD1   TRP   87  19.27 +/- 0.57   0.013% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.92:
          QD1   LEU   31 - HH2   TRP   87   3.86 +/- 0.71 100.000% *100.0000% (0.80   0.75   1.92) = 100.000%  kept
    Distance limit 4.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.565, support = 0.609, residual support = 0.527:
          QD2   LEU   98 - HH2   TRP   87   5.53 +/- 1.09  51.350% * 33.0516% (0.53  1.00   0.67   0.68) =  67.415%  kept
          QG2   VAL   41 - HH2   TRP   87   6.46 +/- 0.93  18.496% * 34.5072% (0.73  1.00   0.51   0.25) =  25.352%  kept
          QD1   LEU   80 - HH2   TRP   87   8.74 +/- 1.45   5.146% * 20.3155% (0.53  1.00   0.41   0.02) =   4.152%  kept
          QD2   LEU   80 - HH2   TRP   87   7.61 +/- 1.08  12.526% *  5.3397% (0.15  1.00   0.37   0.02) =   2.657%  kept
          QD1   LEU   73 - HH2   TRP   87   7.17 +/- 0.90  12.181% *  0.8385% (0.45  1.00   0.02   0.02) =   0.406%
          QD2   LEU   63 - HH2   TRP   87  14.68 +/- 1.28   0.126% *  1.8333% (0.98  1.00   0.02   0.02) =   0.009%
          QD1   LEU   63 - HH2   TRP   87  14.22 +/- 0.86   0.146% *  0.8385% (0.45  1.00   0.02   0.02) =   0.005%
        T QD2   LEU  115 - HH2   TRP   87  19.35 +/- 1.45   0.030% *  3.2756% (0.18 10.00   0.02   0.02) =   0.004%
    Distance limit 4.50 A violated in 4 structures by 0.45 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.753, support = 0.02, residual support = 0.649:
          QD1   LEU   98 - HH2   TRP   87   6.43 +/- 1.35  91.726% * 30.8031% (0.76   0.02   0.68) =  94.597%  kept
          QD1   ILE   19 - HH2   TRP   87  12.68 +/- 0.76   3.041% * 22.8195% (0.57   0.02   0.02) =   2.324%  kept
          QD2   LEU  104 - HH2   TRP   87  12.64 +/- 1.33   2.213% * 29.2682% (0.73   0.02   0.02) =   2.169%  kept
          QG2   THR   46 - HH2   TRP   87  13.35 +/- 0.68   1.962% * 10.0504% (0.25   0.02   0.02) =   0.660%  kept
          QG2   VAL   18 - HH2   TRP   87  14.62 +/- 0.97   1.057% *  7.0588% (0.18   0.02   0.02) =   0.250%
    Distance limit 4.09 A violated in 17 structures by 2.23 A, eliminated.
    Peak unassigned.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.26, residual support = 70.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.51 +/- 0.06  99.999% * 99.0099% (1.00  10.0 10.00   3.26  70.42) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  19.14 +/- 1.55   0.001% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (0.96, 7.71, 120.66 ppm):
    7 chemical-shift based assignments, quality = 0.944, support = 0.419, residual support = 0.569:
        T QD1   ILE  103 - HE3   TRP   87   5.16 +/- 0.96  89.197% * 97.0442% (0.95 10.00   0.42   0.57) =  99.829%  kept
          QG2   ILE  103 - HE3   TRP   87   7.70 +/- 0.93   8.640% *  1.6769% (0.28  1.00   0.25   0.57) =   0.167%
          QD2   LEU   71 - HE3   TRP   87  14.22 +/- 0.86   0.299% *  0.4241% (0.87  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HE3   TRP   87  10.69 +/- 0.78   1.457% *  0.0856% (0.18  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HE3   TRP   87  17.94 +/- 1.54   0.072% *  0.4889% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   87  16.59 +/- 0.59   0.131% *  0.1835% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   87  15.74 +/- 1.95   0.205% *  0.0968% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 7 structures by 0.73 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.12, residual support = 70.4:
          HA    TRP   87 - HD1   TRP   87   4.56 +/- 0.07  99.919% * 99.0808% (0.80   4.12  70.42) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  19.63 +/- 1.31   0.017% *  0.5796% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  16.10 +/- 0.52   0.054% *  0.0927% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  22.18 +/- 1.69   0.010% *  0.2469% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.99, residual support = 9.47:
        T HA    VAL   83 - HD1   TRP   87   5.15 +/- 0.62  95.125% * 95.9068% (0.41 10.00   3.99   9.48) =  99.953%  kept
        T HA    VAL   24 - HD1   TRP   87   8.81 +/- 0.73   4.739% *  0.8755% (0.38 10.00   0.02   0.02) =   0.045%
        T HA    GLU- 100 - HD1   TRP   87  17.58 +/- 0.52   0.072% *  1.0459% (0.45 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  38 - HD1   TRP   87  19.91 +/- 0.59   0.034% *  2.0922% (0.90 10.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - HD1   TRP   87  21.11 +/- 1.64   0.029% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 14 structures by 0.97 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.93, residual support = 70.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.85 +/- 0.03  99.984% * 99.0099% (1.00  10.0  1.00   3.93  70.42) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  16.86 +/- 1.33   0.016% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 225 (2.94, 7.75, 128.42 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 22.5:
        T HB2   ASP-  86 - HD1   TRP   87   3.63 +/- 0.37  99.857% * 98.2033% (1.00 10.00   3.60  22.51) =  99.999%  kept
        T HB2   ASN   28 - HD1   TRP   87  12.47 +/- 0.88   0.070% *  0.8221% (0.84 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   35 - HD1   TRP   87  17.92 +/- 1.25   0.008% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  13.22 +/- 0.40   0.052% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  17.72 +/- 1.32   0.010% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  22.12 +/- 1.29   0.002% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.05 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.8, residual support = 70.4:
      O   HB3   TRP   87 - HD1   TRP   87   2.73 +/- 0.03  99.794% * 99.2543% (0.25  10.0   3.80  70.42) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87   7.90 +/- 0.71   0.205% *  0.2254% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  22.06 +/- 0.91   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  23.30 +/- 2.03   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  20.85 +/- 0.74   0.001% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.07, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 2.87, residual support = 10.5:
        T QG2   VAL   83 - HD1   TRP   87   3.27 +/- 0.66  44.646% * 89.1835% (0.90 10.00   2.81   9.48) =  88.134%  kept
          QD1   ILE   89 - HD1   TRP   87   3.19 +/- 0.33  50.052% * 10.7090% (0.65  1.00   3.33  17.88) =  11.864%  kept
          QG2   VAL   43 - HD1   TRP   87   4.89 +/- 0.47   5.168% *  0.0135% (0.14  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HD1   TRP   87   8.81 +/- 0.73   0.135% *  0.0941% (0.95  1.00   0.02   1.92) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.94, support = 0.766, residual support = 17.6:
        T QG2   ILE   89 - HD1   TRP   87   3.97 +/- 0.09  84.242% * 86.5542% (0.95 10.00   0.75  17.88) =  97.197%  kept
          QG1   VAL   83 - HD1   TRP   87   5.60 +/- 0.76  15.719% * 13.3775% (0.73  1.00   1.50   9.48) =   2.803%  kept
          QD1   LEU  104 - HD1   TRP   87  14.49 +/- 0.80   0.039% *  0.0683% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 229 (0.56, 7.61, 114.70 ppm):
    16 chemical-shift based assignments, quality = 0.536, support = 0.562, residual support = 0.39:
          QD2   LEU   98 - HZ2   TRP   87   6.57 +/- 1.03  16.593% * 39.1221% (0.53   0.75   0.68) =  46.648%  kept
          QG2   VAL   41 - HZ2   TRP   87   7.23 +/- 0.95   9.463% * 38.3499% (0.73   0.53   0.25) =  26.078%  kept
          QD1   LEU   80 - HZ2   TRP   87   6.79 +/- 1.38  15.774% * 13.6497% (0.53   0.26   0.02) =  15.473%  kept
          QD2   LEU   80 - HZ2   TRP   87   5.62 +/- 1.03  34.705% *  4.4665% (0.15   0.29   0.02) =  11.139%  kept
          QD1   LEU   73 - HZ2   TRP   87   6.90 +/- 0.85   9.653% *  0.8890% (0.45   0.02   0.02) =   0.617%  kept
          QD2   LEU   63 - HZ2   TRP   87  14.48 +/- 1.16   0.114% *  1.9437% (0.98   0.02   0.02) =   0.016%
          QD2   LEU  115 - HN    ILE   56   6.89 +/- 0.81  10.841% *  0.0151% (0.01   0.02   0.02) =   0.012%
          QD1   LEU   63 - HZ2   TRP   87  13.77 +/- 0.72   0.134% *  0.8890% (0.45   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    ILE   56   8.92 +/- 0.68   2.025% *  0.0386% (0.02   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    ILE   56  11.15 +/- 0.78   0.488% *  0.0844% (0.04   0.02   0.02) =   0.003%
          QD2   LEU  115 - HZ2   TRP   87  18.81 +/- 1.49   0.020% *  0.3473% (0.18   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ILE   56  16.16 +/- 0.99   0.050% *  0.0386% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE   56  16.84 +/- 1.30   0.041% *  0.0453% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  17.86 +/- 0.89   0.026% *  0.0625% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  17.34 +/- 1.52   0.033% *  0.0453% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  16.68 +/- 0.96   0.041% *  0.0133% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.08 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.174, support = 0.7, residual support = 1.79:
          QD1   LEU   31 - HZ2   TRP   87   4.55 +/- 0.92  51.430% * 92.4210% (0.15   0.75   1.92) =  93.194%  kept
          QG2   VAL   43 - HZ2   TRP   87   4.65 +/- 0.78  48.471% *  7.1612% (0.45   0.02   0.02) =   6.806%  kept
          QG2   VAL   43 - HN    ILE   56  13.97 +/- 1.11   0.086% *  0.3108% (0.02   0.02   0.02) =   0.001%
          QD1   LEU   31 - HN    ILE   56  19.08 +/- 1.30   0.012% *  0.1070% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.11 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 1.77, residual support = 62.0:
          HA    TRP   49 - HE3   TRP   49   4.57 +/- 0.26  76.574% * 49.7662% (0.69   1.91  74.80) =  82.083%  kept
          HA    CYSS  50 - HE3   TRP   49   5.90 +/- 0.96  20.571% * 39.2150% (0.87   1.19   3.13) =  17.376%  kept
          HA    ALA   47 - HE3   TRP   49   8.39 +/- 1.17   2.668% *  9.3713% (0.76   0.32  16.05) =   0.538%  kept
          HA1   GLY  109 - HE3   TRP   49  14.41 +/- 2.62   0.110% *  0.6351% (0.84   0.02   0.02) =   0.002%
          HA    VAL  108 - HE3   TRP   49  15.17 +/- 2.12   0.069% *  0.4919% (0.65   0.02   0.02) =   0.001%
          HA    CYS   21 - HE3   TRP   49  21.44 +/- 1.54   0.008% *  0.3701% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.66 +/- 1.37   0.001% *  0.1505% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 0.02, residual support = 74.6:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.550% * 23.6887% (1.00   0.02  74.80) =  99.788%  kept
          QE    PHE   95 - HE3   TRP   49  13.49 +/- 1.54   0.355% *  8.9104% (0.38   0.02   0.02) =   0.134%
          HD2   HIS   22 - HE3   TRP   49  18.55 +/- 2.24   0.063% * 23.2713% (0.98   0.02   0.02) =   0.062%
          HN    THR   23 - HE3   TRP   49  20.78 +/- 1.53   0.024% *  9.7604% (0.41   0.02   0.02) =   0.010%
          HN    LEU   67 - HE3   TRP   49  25.66 +/- 1.34   0.006% * 19.0107% (0.80   0.02   0.02) =   0.005%
          HD21  ASN   35 - HE3   TRP   49  32.59 +/- 1.16   0.001% * 15.3585% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 20 structures by 1.13 A, eliminated.
    Peak unassigned.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.796, support = 0.0199, residual support = 67.4:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  81.538% * 16.7579% (0.84   0.02  74.80) =  90.091%  kept
          QD    PHE   55 - HH2   TRP   49   9.02 +/- 0.91  15.534% *  6.8436% (0.34   0.02   0.02) =   7.009%  kept
          QE    PHE   95 - HH2   TRP   49  12.32 +/- 1.45   2.570% * 15.3326% (0.76   0.02   0.02) =   2.598%  kept
          HD2   HIS   22 - HH2   TRP   49  19.83 +/- 2.28   0.161% * 13.7814% (0.69   0.02   0.02) =   0.146%
          HN    THR   23 - HH2   TRP   49  21.53 +/- 1.56   0.080% * 16.0651% (0.80   0.02   0.02) =   0.085%
          HN    LEU   67 - HH2   TRP   49  25.22 +/- 1.34   0.029% * 20.0629% (1.00   0.02   0.02) =   0.038%
          HE3   TRP   27 - HH2   TRP   49  21.66 +/- 1.62   0.080% *  5.5782% (0.28   0.02   0.02) =   0.029%
          HD21  ASN   35 - HH2   TRP   49  31.51 +/- 1.55   0.008% *  5.5782% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 20 structures by 2.57 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.766, support = 3.51, residual support = 39.6:
          HA    TRP   49 - HD1   TRP   49   4.14 +/- 0.19  36.776% * 44.7062% (0.69   4.40  74.80) =  48.529%  kept
          HA    CYSS  50 - HD1   TRP   49   4.40 +/- 1.07  32.267% * 40.3090% (0.87   3.14   3.13) =  38.391%  kept
          HA    ALA   47 - HD1   TRP   49   4.35 +/- 1.04  30.895% * 14.3435% (0.76   1.27  16.05) =  13.080%  kept
          HA1   GLY  109 - HD1   TRP   49  14.33 +/- 1.99   0.027% *  0.2472% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  13.95 +/- 1.65   0.029% *  0.1915% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  17.66 +/- 1.56   0.006% *  0.1441% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  28.03 +/- 1.12   0.000% *  0.0586% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.20 +/- 0.38 100.000% *100.0000% (0.61   3.86  73.51) = 100.000%  kept
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (5.96, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.44, residual support = 73.5:
        T HA    PHE   95 - QD    PHE   95   2.41 +/- 0.46 100.000% *100.0000% (0.98 10.00   3.44  73.51) = 100.000%  kept
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 4.63:
          HA    ASP-  44 - QD    PHE   95   2.79 +/- 0.61  99.722% * 93.1915% (0.90   2.00   4.63) =  99.998%  kept
          HA    ILE  103 - QD    PHE   95  10.82 +/- 0.72   0.124% *  0.7546% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - QD    PHE   95  11.10 +/- 0.84   0.042% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   95  11.65 +/- 0.66   0.061% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  13.53 +/- 0.77   0.014% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  15.01 +/- 0.47   0.008% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.36 +/- 0.59   0.014% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.24 +/- 0.61   0.009% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  15.63 +/- 0.66   0.005% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  19.36 +/- 1.05   0.002% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  24.66 +/- 1.40   0.000% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  26.85 +/- 2.17   0.000% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.5:
      O T HB2   PHE   95 - QD    PHE   95   2.38 +/- 0.10 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.51) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (2.54, 7.02, 132.19 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 73.5:
      O T HB3   PHE   95 - QD    PHE   95   2.64 +/- 0.16  99.940% * 99.8712% (0.99  10.0 10.00   3.31  73.51) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   9.63 +/- 1.07   0.059% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  19.40 +/- 0.71   0.001% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 45.7:
        T HB    VAL  107 - QD    PHE   95   2.27 +/- 0.46  99.531% * 99.7392% (0.92 10.00   3.85  45.74) = 100.000%  kept
          HB3   PHE   45 - QD    PHE   95   6.71 +/- 0.88   0.372% *  0.0568% (0.53  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - QD    PHE   95   8.85 +/- 1.71   0.092% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  13.85 +/- 0.73   0.005% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.04 +/- 0.83   0.001% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 0.718, residual support = 4.22:
          HB3   ASP-  44 - QD    PHE   95   3.68 +/- 1.07  74.252% * 27.9343% (0.76   0.75   4.63) =  84.755%  kept
          HB2   LEU   63 - QD    PHE   95   6.08 +/- 0.86   7.241% * 23.6459% (0.65   0.75   4.03) =   6.996%  kept
          HB3   PRO   93 - QD    PHE   95   5.40 +/- 0.80  12.601% * 11.5589% (1.00   0.24   0.02) =   5.952%  kept
          HG3   LYS+ 106 - QD    PHE   95   8.04 +/- 0.60   1.892% * 19.8273% (0.61   0.67   0.02) =   1.533%  kept
          HB    VAL   42 - QD    PHE   95   7.69 +/- 0.75   1.525% * 11.2818% (0.31   0.75   1.44) =   0.703%  kept
          HG    LEU   98 - QD    PHE   95  10.01 +/- 1.07   0.575% *  0.9407% (0.97   0.02   0.02) =   0.022%
          QB    ALA   84 - QD    PHE   95   9.50 +/- 0.71   0.366% *  0.9726% (1.00   0.02   0.02) =   0.015%
          HB3   LEU   73 - QD    PHE   95   8.81 +/- 0.73   0.496% *  0.3658% (0.38   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - QD    PHE   95  10.33 +/- 1.79   0.332% *  0.4745% (0.49   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - QD    PHE   95   9.66 +/- 1.45   0.432% *  0.3008% (0.31   0.02   0.02) =   0.005%
          HB3   LEU   80 - QD    PHE   95  12.13 +/- 1.14   0.088% *  0.5128% (0.53   0.02   0.02) =   0.002%
          QB    ALA  124 - QD    PHE   95  14.48 +/- 0.94   0.038% *  0.8742% (0.90   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD    PHE   95  12.12 +/- 1.28   0.096% *  0.3008% (0.31   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   95  14.58 +/- 0.79   0.030% *  0.3658% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   95  16.21 +/- 1.13   0.023% *  0.4007% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  16.52 +/- 0.88   0.013% *  0.2431% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.86, residual support = 45.7:
        T QG2   VAL  107 - QD    PHE   95   2.73 +/- 0.62  99.817% * 99.7831% (0.99 10.00   3.86  45.74) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95   9.90 +/- 0.91   0.107% *  0.0806% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  11.66 +/- 1.58   0.035% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.32 +/- 0.71   0.041% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 247 (0.59, 7.02, 132.19 ppm):
    7 chemical-shift based assignments, quality = 0.93, support = 1.07, residual support = 2.81:
          QD1   LEU   63 - QD    PHE   95   3.60 +/- 0.89  71.027% * 25.4264% (0.90  1.00   1.60   4.03) =  55.777%  kept
        T QD2   LEU  115 - QD    PHE   95   5.93 +/- 1.53  20.412% * 68.1439% (0.99 10.00   0.39   1.19) =  42.960%  kept
          QD2   LEU   63 - QD    PHE   95   5.27 +/- 1.15   7.612% *  5.3344% (0.31  1.00   0.97   4.03) =   1.254%  kept
          QD1   LEU   73 - QD    PHE   95   8.13 +/- 0.66   0.573% *  0.3181% (0.90  1.00   0.02   0.02) =   0.006%
          QD1   LEU  104 - QD    PHE   95   9.91 +/- 0.81   0.175% *  0.2963% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - QD    PHE   95  10.56 +/- 0.98   0.147% *  0.3477% (0.98  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD    PHE   95  12.22 +/- 0.93   0.055% *  0.1331% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.643, support = 0.746, residual support = 1.44:
        T QG1   VAL   42 - QD    PHE   95   4.58 +/- 0.73  88.124% * 90.7849% (0.65 10.00   0.75   1.44) =  99.425%  kept
          QB    ALA   64 - QD    PHE   95   7.46 +/- 1.18   6.024% *  6.2396% (0.53  1.00   0.63   0.02) =   0.467%
        T QB    ALA   47 - QD    PHE   95   8.77 +/- 0.65   2.915% *  2.8600% (0.76 10.00   0.02   0.02) =   0.104%
          HG2   LYS+ 112 - QD    PHE   95   9.70 +/- 1.68   2.938% *  0.1155% (0.31  1.00   0.02   0.02) =   0.004%
    Distance limit 4.19 A violated in 6 structures by 0.54 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.716, support = 3.68, residual support = 13.4:
          HA    ILE  119 - HD2   HIS  122   2.76 +/- 0.48  93.000% * 51.2013% (0.73   3.63  14.17) =  93.438%  kept
          HA    THR  118 - HD2   HIS  122   4.67 +/- 0.26   6.978% * 47.9252% (0.57   4.36   2.77) =   6.562%  kept
          HD3   PRO   58 - HD2   HIS  122  12.61 +/- 1.16   0.015% *  0.1199% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  16.10 +/- 0.82   0.003% *  0.1080% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.78 +/- 1.44   0.001% *  0.2200% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  19.91 +/- 1.73   0.001% *  0.1742% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  24.51 +/- 1.88   0.000% *  0.2514% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (3.47, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 3.36, residual support = 67.4:
      O T HB2   HIS  122 - HD2   HIS  122   3.58 +/- 0.47  99.904% * 99.7225% (0.49  10.0 10.00   3.36  67.36) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.23 +/- 0.48   0.082% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  16.78 +/- 1.17   0.012% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  24.31 +/- 1.54   0.001% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.962, support = 3.72, residual support = 67.2:
      O T HB3   HIS  122 - HD2   HIS  122   3.05 +/- 0.46  93.484% * 85.8327% (0.97  10.0 10.00   3.71  67.36) =  98.868%  kept
          QE    LYS+ 121 - HD2   HIS  122   6.51 +/- 1.24   6.514% * 14.0972% (0.69   1.0  1.00   4.61  49.22) =   1.132%  kept
          HG2   GLN   30 - HD2   HIS  122  19.98 +/- 2.53   0.002% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  24.60 +/- 1.11   0.000% *  0.0504% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.501, support = 0.0873, residual support = 0.0198:
          HB3   ASP- 105 - HD2   HIS  122   6.09 +/- 4.52  84.691% *  2.4355% (0.34   0.02   0.02) =  52.038%  kept
          QB    LYS+ 106 - HD2   HIS  122   9.63 +/- 2.71   2.774% * 49.5462% (0.65   0.21   0.02) =  34.676%  kept
          HB    ILE   56 - HD2   HIS  122  12.64 +/- 1.36   4.968% *  6.9985% (0.98   0.02   0.02) =   8.772%  kept
          HG3   PRO   68 - HD2   HIS  122  11.15 +/- 3.72   5.570% *  1.7803% (0.25   0.02   0.02) =   2.502%  kept
          HB3   PRO   58 - HD2   HIS  122  13.45 +/- 1.65   1.076% *  4.3305% (0.61   0.02   0.02) =   1.175%  kept
          HB2   MET   92 - HD2   HIS  122  18.17 +/- 1.20   0.155% *  5.7172% (0.80   0.02   0.02) =   0.224%
          HB    ILE  103 - HD2   HIS  122  13.84 +/- 3.76   0.305% *  1.9851% (0.28   0.02   0.02) =   0.153%
          HB3   LYS+  38 - HD2   HIS  122  18.12 +/- 4.64   0.078% *  7.1240% (1.00   0.02   0.02) =   0.140%
          HG2   ARG+  54 - HD2   HIS  122  19.75 +/- 1.87   0.197% *  2.2037% (0.31   0.02   0.02) =   0.110%
          HB3   GLN   30 - HD2   HIS  122  18.61 +/- 2.82   0.059% *  6.5909% (0.92   0.02   0.02) =   0.099%
          QB    LYS+  33 - HD2   HIS  122  18.10 +/- 2.89   0.073% *  3.2010% (0.45   0.02   0.02) =   0.059%
          HB3   GLN   90 - HD2   HIS  122  21.86 +/- 0.87   0.033% *  3.7564% (0.53   0.02   0.02) =   0.032%
          QB    LYS+  81 - HD2   HIS  122  23.47 +/- 0.86   0.020% *  4.3305% (0.61   0.02   0.02) =   0.021%
    Distance limit 4.44 A violated in 7 structures by 0.86 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.914, support = 5.57, residual support = 48.8:
          HB2   LYS+ 121 - HD2   HIS  122   4.20 +/- 0.42  94.595% * 67.8980% (0.92   5.60  49.22) =  97.780%  kept
          HB2   LEU  123 - HD2   HIS  122   7.17 +/- 0.56   4.743% * 30.7203% (0.53   4.45  31.41) =   2.218%  kept
          QD    LYS+  65 - HD2   HIS  122  12.75 +/- 1.58   0.208% *  0.2485% (0.95   0.02   0.02) =   0.001%
          HG3   PRO   93 - HD2   HIS  122  14.46 +/- 1.62   0.093% *  0.1487% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD2   HIS  122  15.20 +/- 4.07   0.068% *  0.2007% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  17.70 +/- 4.04   0.027% *  0.2621% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.97 +/- 0.84   0.145% *  0.0405% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.44 +/- 1.57   0.050% *  0.0986% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  16.01 +/- 1.32   0.035% *  0.0730% (0.28   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  16.87 +/- 1.24   0.032% *  0.0520% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  22.39 +/- 1.99   0.005% *  0.2575% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.10 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.936, support = 4.76, residual support = 49.2:
          HB3   LYS+ 121 - HD2   HIS  122   4.33 +/- 0.67  73.500% * 71.5501% (1.00   4.71  49.22) =  90.617%  kept
          HD2   LYS+ 121 - HD2   HIS  122   5.61 +/- 1.05  20.047% * 27.0879% (0.34   5.22  49.22) =   9.357%  kept
          QD    LYS+  66 - HD2   HIS  122   8.63 +/- 2.31   4.978% *  0.2209% (0.73   0.02   0.02) =   0.019%
          HG    LEU  104 - HD2   HIS  122  10.19 +/- 5.08   1.129% *  0.3036% (1.00   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HD2   HIS  122  13.39 +/- 1.56   0.100% *  0.2936% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HD2   HIS  122  13.33 +/- 1.77   0.172% *  0.0846% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.67 +/- 1.32   0.044% *  0.2878% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  18.97 +/- 3.66   0.016% *  0.1038% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.63 +/- 1.74   0.014% *  0.0677% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.10 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.189, support = 3.38, residual support = 13.9:
          QG2   ILE  119 - HD2   HIS  122   4.34 +/- 0.47  65.116% * 74.6063% (0.18  1.00   3.44  14.17) =  98.268%  kept
          QD1   LEU   67 - HD2   HIS  122   8.23 +/- 4.18  22.196% *  2.4741% (1.00  1.00   0.02   0.13) =   1.111%  kept
          QD2   LEU   40 - HD2   HIS  122   7.76 +/- 4.00  11.046% *  2.4796% (1.00  1.00   0.02   0.02) =   0.554%  kept
          QG2   ILE  103 - HD2   HIS  122   9.92 +/- 3.14   1.037% *  2.3930% (0.97  1.00   0.02   0.02) =   0.050%
        T HB    VAL   75 - HD2   HIS  122  17.10 +/- 1.89   0.024% * 14.0384% (0.57 10.00   0.02   0.02) =   0.007%
          QD1   ILE  103 - HD2   HIS  122  11.72 +/- 3.08   0.433% *  0.7653% (0.31  1.00   0.02   0.02) =   0.007%
          QD2   LEU   71 - HD2   HIS  122  13.14 +/- 2.70   0.124% *  1.0194% (0.41  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HD2   HIS  122  16.86 +/- 1.49   0.024% *  2.2238% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.492, support = 4.55, residual support = 30.9:
          QD1   LEU  123 - HD2   HIS  122   4.96 +/- 0.70  69.915% * 51.4194% (0.49   4.65  31.41) =  92.534%  kept
          QD2   LEU  123 - HD2   HIS  122   7.48 +/- 0.42   5.253% * 44.0743% (0.49   3.99  31.41) =   5.959%  kept
          HB3   LEU  104 - HD2   HIS  122   8.26 +/- 5.07  14.046% *  4.0690% (0.84   0.21   0.02) =   1.471%  kept
          QG1   VAL   70 - HD2   HIS  122   7.64 +/- 3.44   9.985% *  0.1263% (0.28   0.02   0.02) =   0.032%
          QD1   LEU   71 - HD2   HIS  122  13.28 +/- 2.95   0.249% *  0.2211% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD2   HIS  122  11.39 +/- 1.53   0.552% *  0.0899% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.23 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.985, residual support = 2.77:
        T QG2   THR  118 - HD2   HIS  122   3.30 +/- 0.07 100.000% *100.0000% (0.69 10.00   0.98   2.77) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.14 A, kept.
 
    Peak 259 (-1.01, 8.33, 138.33 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 260 (1.38, 7.32, 120.14 ppm):
    30 chemical-shift based assignments, quality = 0.937, support = 1.25, residual support = 11.8:
          HB3   LEU   73 - HE3   TRP   27   3.32 +/- 0.80  91.557% * 85.9859% (0.94   1.25  11.80) =  99.960%  kept
          HB2   LEU   80 - HE3   TRP   27   8.13 +/- 1.16   2.710% *  0.2541% (0.17   0.02  11.97) =   0.009%
          HG3   LYS+  65 - HN    LEU   67   6.60 +/- 0.40   2.512% *  0.2213% (0.15   0.02   0.02) =   0.007%
          HB    VAL   42 - HE3   TRP   27   8.68 +/- 0.84   0.382% *  1.4220% (0.97   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HE3   TRP   27   7.77 +/- 0.53   1.092% *  0.4478% (0.31   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HE3   TRP   27  10.52 +/- 1.54   0.199% *  1.4475% (0.99   0.02   0.02) =   0.004%
          QB    LEU   98 - HE3   TRP   27   9.29 +/- 0.78   0.278% *  0.8213% (0.56   0.02   0.02) =   0.003%
          QB    ALA   84 - HE3   TRP   27   9.57 +/- 0.78   0.464% *  0.2871% (0.20   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LEU   67   8.63 +/- 0.59   0.403% *  0.2213% (0.15   0.02   0.02) =   0.001%
          HG    LEU   98 - HE3   TRP   27   9.86 +/- 1.00   0.166% *  0.1963% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HE3   TRP   27  14.99 +/- 0.58   0.016% *  1.1087% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  14.61 +/- 1.13   0.027% *  0.3230% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HE3   TRP   27  17.34 +/- 2.46   0.007% *  1.2117% (0.83   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HE3   TRP   27  17.39 +/- 1.20   0.006% *  1.3392% (0.91   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   67  13.44 +/- 0.85   0.033% *  0.2135% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HE3   TRP   27  19.18 +/- 1.52   0.004% *  1.4220% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  15.47 +/- 1.00   0.016% *  0.2252% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  14.17 +/- 0.73   0.023% *  0.1278% (0.09   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  16.22 +/- 1.74   0.013% *  0.1885% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  18.71 +/- 2.36   0.011% *  0.1958% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  16.79 +/- 1.04   0.009% *  0.1725% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.48 +/- 1.47   0.021% *  0.0697% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  24.41 +/- 2.10   0.001% *  1.2584% (0.86   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  15.41 +/- 2.53   0.021% *  0.0628% (0.04   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  21.11 +/- 2.24   0.002% *  0.4034% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.87 +/- 1.31   0.002% *  0.2084% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  16.47 +/- 1.29   0.008% *  0.0503% (0.03   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  15.65 +/- 1.15   0.011% *  0.0305% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  19.55 +/- 0.71   0.003% *  0.0447% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  22.36 +/- 1.53   0.002% *  0.0395% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 1 structures by 0.06 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :    115
      with multiple volume contributions     :     85
      eliminated by violation filter         :     12
 
    Peaks:
      selected                               :    240
      without assignment                     :     30
      with assignment                        :    210
      with unique assignment                 :    141
      with multiple assignment               :     69
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    178
 
    Atoms with eliminated volume contribution > 2.5:
    QD    PHE   97       3.0